5-Amino-2-fluorobenzoic acid

C₇H₆FNO₂CAS 56741-33-4155.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 1.11Crippen estimate
Polar surface area: 63.3 Å²
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

56741-33-4

SMILES

C1=CC(=C(C=C1N)C(=O)O)F

InChIKey

WYGAIOJWQDRBRJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)

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Names and synonyms

1 names

5-Amino-2-fluorobenzioc acid

Work with 5-Amino-2-fluorobenzoic 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

4-Amino-2-fluorobenzoic acid446-31-175 % similar 4-Aminophthalic acid5434-21-968 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-566 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-162 % similar 5-Aminosalicylic acid89-57-662 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

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