chempirical

4-Amino-2-(trifluoromethyl)benzoic Acid

C8H6F3NO2CAS 393-06-6205.14 g/mol

Open in Covalent MOL file
H2NFFFOOH
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H6F3NO2
Molar mass
205.14 g/mol
Exact mass
205.0351 Da
logP
1.99Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
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
393-06-6
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)C(=O)O
InChIKey
AMVHEVZYTGHASE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,12H2,(H,13,14)

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Names and synonyms

1 names
  • 4-Amino-2-trifluoromethylbenzoic acid

Work with 4-Amino-2-(trifluoromethyl)benzoic 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

2,4-Bis(trifluoromethyl)benzoic acid32890-87-267 % similar 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-865 % similar 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-165 % similar 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-063 % similar 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-063 % similar 4-Bromo-2-(trifluoromethyl) benzoic acid320-31-063 % similar 4-Aminophthalic acid5434-21-962 % similar 4-Amino-2-fluorobenzoic acid446-31-159 % similar

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

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 2-(Trifluoromethoxy)benzamide127979-74-2 4-(Trifluoromethoxy)benzaldoxime150162-39-3 Methyl 4-(trifluoromethyl)nicotinate175204-82-7 2-Methyl-4-nitrobenzotrifluoride1960-52-7 Methyl 6-(trifluoromethyl)nicotinate221313-10-6 2-Methyl-6-(trifluoromethyl)nicotinic acid261635-93-2 2-Amino-3-(trifluoromethyl)benzoic acid313-12-2

Elsewhere

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