2-(4-Bromophenoxy)acetic acid

C₈H₇BrO₃CAS 1878-91-7231.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
Melting point: 160–161 °C
logP: 1.91Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1878-91-7

SMILES

O=C(O)COc1ccc(Br)cc1

InChIKey

SZEBGAQWWSUOHT-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2-(4-bromophenoxy)-
Acetic acid, (p-bromophenoxy)-
Acetic acid, (4-bromophenoxy)-
(4-Bromophenoxy)acetic acid
p-Bromophenoxyacetic acid
NSC 65085

Work with 2-(4-Bromophenoxy)acetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-678 % similar (4-Hydroxyphenoxy)acetic acid1878-84-871 % similar Phenoxyacetic acid122-59-865 % similar 4-Chlorophenoxyacetic acid122-88-364 % similar 4-Methoxyphenoxyacetic acid1877-75-464 % similar 4-Iodophenoxyacetic acid1878-94-064 % similar 4-Fluorophenoxyacetic acid405-79-864 % similar (4-Methylphenoxy)acetic acid940-64-764 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-3 5-Bromovanillin2973-76-4 3-Bromo-4-hydroxyphenylacetic acid38692-80-7 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-2 4-Bromomandelic acid6940-50-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook