5-Bromo-2-methoxybenzoic acid

C8H7BrO3CAS 2476-35-9231.04 g/mol

Open in Covalent MOL file
OBrOOH
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
Melting point
121 °C
logP
2.16Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
2476-35-9
SMILES
COc1ccc(Br)cc1C(=O)O
InChIKey
JFDUXZIRWBYBAQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

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Names and synonyms

5 names
  • Benzoic acid, 5-bromo-2-methoxy-
  • o-Anisic acid, 5-bromo-
  • 5-Bromo-o-anisic acid
  • 2-Methoxy-5-bromobenzoic acid
  • Benzoic acid, 3-(bromocarbonyl)-4-methoxy-

Work with 5-Bromo-2-methoxybenzoic 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

4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 2,5-Dimethoxybenzoic acid2785-98-067 % similar 2-Methoxy-5-methylbenzoic acid25045-36-765 % similar 5-Chloro-2-methoxybenzoic acid3438-16-263 % similar 5-Fluoro-2-methoxybenzoic acid394-04-763 % similar 4-Bromophthalic acid6968-28-162 % similar 2,4,5-Trimethoxybenzoic acid490-64-260 % similar 2-Amino-5-bromobenzoic acid5794-88-759 % 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 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

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