chempirical

2-Amino-3,4,5,6-tetrafluorobenzoic acid

C7H3F4NO2CAS 1765-42-0209.10 g/mol

Open in Covalent MOL file
NH2FFFFOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
Melting point
141–142 °C
logP
1.52Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1765-42-0
SMILES
Nc1c(F)c(F)c(F)c(F)c1C(=O)O
InChIKey
CNSGPAMLXMBLNA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Benzoic acid, 2-amino-3,4,5,6-tetrafluoro-
  • Anthranilic acid, 3,4,5,6-tetrafluoro-
  • Tetrafluoroanthranilic acid

Work with 2-Amino-3,4,5,6-tetrafluorobenzoic 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

Pentafluorobenzoic acid602-94-868 % similar Tetrafluorophthalic acid652-03-968 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-864 % similar 2-Amino-3,5-dibromo-6-fluorobenzoic acid175135-10-157 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-149 % similar 3-Amino-2,4,5-trifluorobenzoic acid119385-80-747 % similar 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid16583-08-747 % similar 4-Amino-2,3,5,6-tetrafluorobenzamide1548-74-947 % similar

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

Same formula

4-Fluoro-3-nitrobenzotrifluoride367-86-2 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 2-Fluoro-5-nitrobenzotrifluoride400-74-8 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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