O-Bromophenoxyacetic acid

C₈H₇BrO₃CAS 1879-56-7231.04 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
logP: 1.91Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1879-56-7

SMILES

C1=CC=C(C(=C1)OCC(=O)O)Br

InChIKey

AZYODYPUWJPKOI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c9-6-3-1-2-4-7(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

1 names

(2-Bromophenoxy)acetic acid

Work with O-Bromophenoxyacetic 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

1,2-Phenylenedioxydiacetic acid5411-14-376 % similar 2,4-Dibromophenoxyacetic acid10129-78-969 % similar (2-Methylphenoxy)acetic acid1878-49-563 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-963 % similar O-Chlorophenoxyacetic acid614-61-963 % similar Naphthoxyacetic acid2976-75-261 % similar 2-(Carboxymethoxy)benzoic acid635-53-061 % similar (2-Formylphenoxy)acetic acid6280-80-459 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

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