chempirical

3-Bromo-2-methylbenzoic acid

C8H7BrO2CAS 76006-33-2215.05 g/mol

Open in Covalent MOL file
BrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
2.46Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
76006-33-2
SMILES
CC1=C(C=CC=C1Br)C(=O)O
InChIKey
BJGKVCKGUBYULR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)

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Work with 3-Bromo-2-methylbenzoic acid

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Similar compounds

2,3-Dimethylbenzoic acid603-79-266 % similar 3-Amino-2-methylbenzoic acid52130-17-364 % similar 3-Hydroxy-2-methylbenzoic acid603-80-564 % similar 3-Chloro-2-methylbenzoic acid7499-08-364 % similar 2-Bromobenzoic acid88-65-363 % similar 2-Bromo-3-methylbenzoic acid53663-39-162 % similar 3-Fluoro-2-methylbenzoic acid699-90-162 % similar 5-Bromonaphthalene-1-carboxylic acid16726-67-361 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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