2-(Bromomethyl)acrylic acid

C₄H₅BrO₂CAS 72707-66-5164.99 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₅BrO₂
Molar mass: 164.99 g/mol
Exact mass: 163.9473 Da
Melting point: 74–75 °C
logP: 1.02Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

72707-66-5

SMILES

C=C(CBr)C(=O)O

InChIKey

NOOYFQLPKUQDNE-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-Propenoic acid, 2-(bromomethyl)-
2-(Bromomethyl)-2-propenoic acid
α-(Bromomethyl)acrylic acid
α-Bromomethacrylic acid
2-(Bromomethyl)propenoic acid
Bromomethylacrylic acid

Work with 2-(Bromomethyl)acrylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromopyruvic acid1113-59-352 % similar Itaconic acid97-65-452 % similar 2-Benzylacrylic acid5669-19-244 % similar Bromoacetic acid79-08-340 % similar 2-Chloro-2-propenoic acid598-79-837 % similar Methacrylic acid79-41-437 % similar 2-(Trifluoromethyl)acrylic acid381-98-634 % similar Ammonium oxalate1113-38-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromocrotonic acid13991-36-1 2-Bromo-4-butyrolactone5061-21-2

Elsewhere

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