Bromomethyl acetate
An ester, C3H5BrO2, 152.975 g/mol.
Identifiers
- Molecular formula
- C₃H₅BrO₂
- Molecular weight
- 152.975 g/mol
- Exact mass
- 151.947292 g/mol
- IUPAC name
- bromomethyl acetate
- CC(=O)OCBr
- InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3
- NHYXMAKLBXBVEO-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 152.97 g/mol
- Exact mass
- 151.94729 Da
- XLogP3
- 1
- Polar surface area
- 26.3 Ų
- Complexity
- 52
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.9019
- Topological polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 1
- Molar refractivity
- 25.56 cm³/mol
- Fraction sp³ carbons
- 0.6667
- QED drug-likeness
- 0.4128
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 6
- Total atoms, hydrogen included
- 11
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Ester
Ether
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 bromomethyl acetate.
The sources also call it Bromomethanol acetate, Methanol, bromo-, acetate, Methanol, 1-bromo-, 1-acetate, DTXSID00883451, EINECS 209-696-2, RefChem:121600, DTXCID501022981, acetic acid bromomethyl ester, Acetoxymethyl Bromide, MFCD00000170, Bromomethyl Acetate (~90%).
Structurally related
Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Bromomethyl acetate. 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.
1-(1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropanol
used as a reactant
C₁₈H₂₀N₂O₂, 296.37 g/mol.
1-(1-Acetoxymethyl-1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-yl)-2-methyl-1-propanol
formed as a product
C₂₁H₂₄N₂O₄, 368.433 g/mol.
(4-(3-cyano-5-methylbenzoyl)-3-ethyl-5-isopropyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl acetate
formed as a product
C₂₁H₂₃N₃O₅, 397.431 g/mol.
(2-Fluoro-4-iodo phenyl)-acetic acid acetoxymethyl ester
formed as a product
C₁₁H₁₀FIO₄, 352.099 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 B
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C3H5BrO2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Bromomethyl acetate 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.