2,5-Dibromobenzeneacetic acid

C₈H₆Br₂O₂CAS 203314-28-7293.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆Br₂O₂
Molar mass: 293.94 g/mol
Exact mass: 291.8735 Da
logP: 2.84Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

203314-28-7

SMILES

O=C(O)Cc1cc(Br)ccc1Br

InChIKey

NKZKFWYEXDBOTP-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 2,5-dibromo-
(2,5-Dibromophenyl)acetic acid
2-(2,5-Dibromophenyl)acetic acid

Work with 2,5-Dibromobenzeneacetic 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

2-Bromophenylacetic acid18698-97-064 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-662 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-656 % similar 4-Bromophenylacetic acid1878-68-856 % similar 3-Bromophenylacetic acid1878-67-754 % similar 2-Bromo-4-chlorobenzeneacetic acid52864-56-954 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-254 % similar 3-(4-Bromophenyl)propionic acid1643-30-750 % similar

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

Same formula

3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-1 Methyl 3,5-dibromobenzoate51329-15-8 Methyl 2,5-dibromobenzoate57381-43-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

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