Methyl 2-amino-5-fluorobenzoate

C₈H₈FNO₂CAS 319-24-4169.16 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₈H₈FNO₂
Molar mass: 169.16 g/mol
Exact mass: 169.0539 Da
logP: 1.19Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H332 Harmful if inhaled10% of notifiers
H335 May cause respiratory irritation30% of notifiers
H412 Harmful to aquatic life with long lasting effects70% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

319-24-4

SMILES

COC(=O)c1cc(F)ccc1N

InChIKey

PUDDYSBKCDKATP-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-amino-5-fluoro-, methyl ester
Anthranilic acid, 5-fluoro-, methyl ester
Methyl 5-fluoroanthranilate
2-Amino-5-fluorobenzoic acid methyl ester

Work with Methyl 2-amino-5-fluorobenzoate

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

Methyl 2,4-difluorobenzoate106614-28-267 % similar Methyl 5-methylanthranilate18595-16-965 % similar Methyl 2-amino-5-methoxybenzoate2475-80-165 % similar Methyl 2-amino-4,5-difluorobenzoate207346-42-764 % similar Methyl 5-hydroxyanthranilate1882-72-063 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-663 % similar Methyl 5-fluoro-2-hydroxybenzoate391-92-463 % similar Methyl 2-amino-5-chlorobenzoate5202-89-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 2,3-Dimethyl-4-fluoronitrobenzene1736-87-4 Methyl-4-amino-3-fluorobenzoate185629-32-7 (S)-4-Fluorophenylglycine19883-57-9 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-4-fluorobenzoate2475-81-2 3-Amino-4-fluorobenzoic acid methyl ester369-26-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook