4-Amino-2-fluorobenzoic acid

C₇H₆FNO₂CAS 446-31-1155.13 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

Danger

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage81.2% of notifiers
H319 Causes serious eye irritation18.8% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

446-31-1

SMILES

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

InChIKey

QHERSCUZBKDVOC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-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

5-Amino-2-fluorobenzoic acid56741-33-475 % similar 4-Aminophthalic acid5434-21-968 % similar 2,4-Difluorobenzoic acid1583-58-064 % similar 4-Aminosalicylic acid65-49-662 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-362 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-561 % similar 4-Bromo-2-fluorobenzoic acid112704-79-760 % similar 2-Fluoro-4-iodobenzoic acid124700-40-960 % 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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