chempirical

(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid

C10H7F3N2O2CAS 313241-14-4244.17 g/mol

Open in Covalent MOL file
NNOHOFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H7F3N2O2
Molar mass
244.17 g/mol
Exact mass
244.0460 Da
logP
2.14Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
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
313241-14-4
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)O)C(F)(F)F
InChIKey
GPOYZFXQCCJBTF-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)

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Work with (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic 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

N-(Carboxymethyl)acridone38609-97-149 % similar Benzoimidazol-1-yl-acetic acid40332-16-948 % similar Benzotriazol-1-yl-acetic acid4144-64-348 % similar 1H-Indole-1-acetic acid24297-59-440 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-040 % similar 3-Benzoimidazol-1-yl-propionic acid14840-18-740 % similar 1H-Benzotriazole-1-propanoic acid654-15-940 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-839 % similar

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

Elsewhere

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