Methyl 2-amino-4,5-difluorobenzoate

C8H7F2NO2CAS 207346-42-7187.15 g/mol

Open in Covalent MOL file
OOH2NFF
Aryl halideEsterPrimary amine

Properties

Molecular formula
C8H7F2NO2
Molar mass
187.15 g/mol
Exact mass
187.0445 Da
logP
1.33Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
207346-42-7
SMILES
COC(=O)C1=CC(=C(C=C1N)F)F
InChIKey
VIAQNTRKUPBQKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3

Weigh it out

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

Work with Methyl 2-amino-4,5-difluorobenzoate

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-amino-4-chloro-5-fluorobenzoate104901-79-374 % similar Methyl 2-amino-5-fluorobenzoate319-24-464 % similar Methyl 2-bromo-4,5-difluorobenzoate878207-28-463 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-662 % similar Methyl 2-amino-4-fluorobenzoate2475-81-261 % similar Methyl 2,3,4,5-tetrafluorobenzoate5292-42-260 % similar Methyl-4-amino-3-fluorobenzoate185629-32-759 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Amino-2,3-difluorophenyl)acetic acid835912-66-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook