Skip to the content
Open ReactionLens
Browse the library

2-Chlorophenylboronic acid

An aromatic organohalide, C6H6BClO2, 156.377 g/mol.

verified record, Organic — aromatic organohalide

Identifiers

Molecular formula
C₆H₆BClO₂
Molecular weight
156.377 g/mol
Exact mass
156.014938 g/mol
IUPAC name
(2-chlorophenyl)boronic acid
SMILES
OB(O)c1ccccc1Cl
InChI
InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey
RRCMGJCFMJBHQC-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
156.38 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
156.0149373 Dacalculated · reference compound database
Mass of the most common isotopic form.
Polar surface area
40.5 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
110calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
2calculated · reference compound database
H-bond acceptors
2calculated · reference compound database
logP
0.0198calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
40.46 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
2calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
2calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
1calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
41.2776 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.5629calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
10
Total atoms, hydrogen included
16
Rings
1
Aromatic rings
1
Stereocentres
0
Formal charge
0

Functional groups

  • Halide (C–X)

    A halogen atom attached to carbon.

  • Aromatic ring

    A flat six-membered ring with delocalised electrons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves 2-Chlorophenylboronic acid yet.

Other names for it

The systematic name on this record is (2-chlorophenyl)boronic acid.

The sources also call it DTXSID80370213, RefChem:1062873, DTXCID20321249, (2-chlorophenyl)boronic acid, 2-chlorobenzeneboronic acid, MFCD00674012, o-chlorophenylboronic acid, 2-Chlorophenylboronicacid, 2-chlorophenyl boronic acid, o-chlorphenylboronic acid, SCHEMBL4129.

Structurally related

Nothing structurally close to 2-Chlorophenylboronic acid has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as 2-Chlorophenylboronic acid. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

(+/-)-[5-Fluoro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate

formed as a product

C₂₂H₁₈ClFO₄S, 432.9 g/mol.

(+/-)-(7-Bromo-5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate

used as a reactant

C₁₆H₁₄BrFO₄S, 401.253 g/mol.

(2-Chloro-6-iodo-quinazolin-4-yl)-(5-cyclopropyl-2H-pyrazol-3-yl)-amine

used as a reactant

C₁₄H₁₁ClIN₅, 411.634 g/mol.

1,4-Dioxane

used as a reactant

C₄H₈O₂, 88.106 g/mol.

1,2-Dimethoxyethane

used as a reactant

C₄H₁₀O₂, 90.122 g/mol.

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

More molecules under 0–9

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with C6H6BClO2 in a calculation, with every element's contribution shown.

Molarity calculator

Grams of 2-Chlorophenylboronic acid for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.