2,3-Dibromo-3-phenylpropanoic acid

C₉H₈Br₂O₂CAS 6286-30-2307.97 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₉H₈Br₂O₂
Molar mass: 307.97 g/mol
Exact mass: 305.8891 Da
Melting point: 204 °C
logP: 2.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

6286-30-2

SMILES

O=C(O)C(Br)C(Br)c1ccccc1

InChIKey

FXJWTHBNVZNQQP-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)

Weigh it out

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

Names and synonyms

8 names

Benzenepropanoic acid, α,β-dibromo-
Hydrocinnamic acid, α,β-dibromo-
α,β-Dibromobenzenepropanoic acid
α,β-Dibromohydrocinnamic acid
α,β-Dibromo-β-phenylpropionic acid
NSC 10049
2,3-Dibromo-3-phenyl-propionic acid
2,3-Dibromo-3-phenylpropionic acid

Work with 2,3-Dibromo-3-phenylpropanoic 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

Bromophenylacetic acid4870-65-959 % similar 2,3-Dibromo-1,3-diphenyl-1-propanone611-91-659 % similar Diphenylacetic acid117-34-055 % similar Phenylmalonic acid2613-89-055 % similar (S)-Mandelic acid17199-29-052 % similar (-)-Mandelic acid611-71-252 % similar Mandelic acid90-64-252 % similar meso-Stilbene dibromide13440-24-950 % similar

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

Same formula

4-Bromo-3-bromomethyl-benzoic acid methyl ester142031-67-2 Methyl 3,5-dibromo-4-methylbenzoate74896-66-5 Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-9

Elsewhere

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