Methyl 2-amino-4-fluorobenzoate

C₈H₈FNO₂CAS 2475-81-2169.16 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 swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2475-81-2

SMILES

COC(=O)C1=C(C=C(C=C1)F)N

InChIKey

UBFRSTYHLYPSND-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 2-amino-4-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 4-fluoro-2-methoxybenzoate204707-42-669 % similar Methyl 2,4-difluorobenzoate106614-28-269 % similar Dimethyl 3-aminoterephthalate5372-81-666 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-165 % similar Methyl 2-chloro-4-fluorobenzoate85953-29-365 % similar Methyl 2-amino-4-bromobenzoate135484-83-262 % similar Methyl 2-amino-4-chlorobenzoate5900-58-362 % similar Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-662 % 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-5-fluorobenzoate319-24-4 3-Amino-4-fluorobenzoic acid methyl ester369-26-6

Elsewhere

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