3-Bromo-4-(trifluoromethyl)benzoic acid
Properties
- Molecular formula
- C8H4BrF3O2
- Molar mass
- 269.02 g/mol
- Exact mass
- 267.9347 Da
- logP
- 3.17Crippen 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
581813-17-4SMILES
C1=CC(=C(C=C1C(=O)O)Br)C(F)(F)FInChIKey
OWNPWXHFRGDHMC-UHFFFAOYSA-NInChI
InChI=1S/C8H4BrF3O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Bromo-4-(trifluoromethyl)benzoic acid
Similar compounds
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3-Amino-4-(trifluoromethyl)benzoic acid125483-00-365 % similar
3,4-Dibromobenzoic acid619-03-464 % similar
4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-962 % similar
4-Fluoro-3-(trifluoromethyl)benzoic acid67515-55-362 % similar
3-Bromo-4-fluorobenzoic acid1007-16-561 % similar
3-Nitro-4-(trifluoromethyl)benzoic acid116965-16-361 % similar
4-Chloro-3-(trifluoromethyl)benzoic acid1737-36-661 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-3
4-Bromo-3-(trifluoromethyl)benzoic acid161622-14-6
2-Bromo-3-(trifluoromethyl)benzoic acid177420-63-2
4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-5
4-Bromo-2-(trifluoromethyl) benzoic acid320-31-0
3-Bromo-5-(trifluoromethyl)benzoic acid328-67-6
2-Bromo-4-(trifluoromethyl)benzoic acid328-89-2
5-Bromo-2-trifluoromethylbenzoic acid654-97-7