2-(Bromomethyl)benzoic acid
Properties
- Molecular formula
- C8H7BrO2
- Molar mass
- 215.05 g/mol
- Exact mass
- 213.9629 Da
- logP
- 2.28Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
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
786593-22-4SMILES
C1=CC=C(C(=C1)CBr)C(=O)OInChIKey
QSLMPDKYTNEMFQ-UHFFFAOYSA-NInChI
InChI=1S/C8H7BrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-(Bromomethyl)benzoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Ethylbenzoic acid612-19-163 % similar
2-(Chloromethyl)benzoic acid85888-81-963 % similar
2-(2-Phenylethyl)benzoic acid4890-85-161 % similar
Homophthalic acid89-51-061 % similar
Phthalic acid88-99-359 % similar
2-(Cyanomethyl)benzoic acid6627-91-459 % similar
Alpha-PhthaliMido-o-toluic acid53663-18-656 % similar
2-(Phenoxymethyl)benzoic acid724-98-156 % 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