Cyclopropanecarbonyl chloride
An organohalide, C4H5ClO, 104.536 g/mol.
Identifiers
- Molecular formula
- C₄H₅ClO
- Molecular weight
- 104.536 g/mol
- Exact mass
- 104.002892 g/mol
- IUPAC name
- cyclopropanecarbonyl chloride
- O=C(Cl)C1CC1
- InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2
- ZOOSILUVXHVRJE-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 104.53 g/mol
- Exact mass
- 104.0028925 Da
- XLogP3
- 1.2
- Polar surface area
- 17.1 Ų
- Complexity
- 75
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 1.1618
- Topological polar surface area
- 17.07 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 23.584 cm³/mol
- Fraction sp³ carbons
- 0.75
- QED drug-likeness
- 0.4565
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 6
- Total atoms, hydrogen included
- 11
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Halide (C–X)
The molecule in three dimensions
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
Other names for it
The systematic name on this record is cyclopropanecarbonyl chloride.
The sources also call it Cyclopropanecarboxylic acid chloride, Cyclopropane carbonyl chloride, Cyclopropylcarboxyl chloride, cyclopropane carboxylic acid chloride, EINECS 223-684-4, DTXSID2063266, EC 223-684-4, RefChem:129929, DTXCID9039735, ZOOSILUVXHVRJE-UHFFFAOYSA-N, Cyclopropanoyl chloride.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Cyclopropanecarbonyl chloride. 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-{[(3,5-bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)-cyclopropylmethyl-amine
used as a reactant
C₂₄H₂₅F₆N₉, 553.515 g/mol.
(4-Aminomethyl-3-methyl-phenyl)-(2-methyl-4,5-dihydro-3-thia-1,6-diaza-benzo[e]azulen-6-yl)-methanone
used as a reactant
C₂₁H₂₁N₃OS, 363.486 g/mol.
(4-Aminomethyl-3-methyl-phenyl)-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulen-6-yl)-methanone
used as a reactant
C₂₈H₂₈N₄O, 436.559 g/mol.
Where these values came from
chemistry engine
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 C
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C4H5ClO in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Cyclopropanecarbonyl chloride for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
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