Methyl 2-amino-5-(trifluoromethyl)benzoate

C9H8F3NO2CAS 117324-58-0219.16 g/mol

Open in Covalent MOL file
OOFFFH2N
Alkyl halideEsterPrimary amine

Properties

Molecular formula
C9H8F3NO2
Molar mass
219.16 g/mol
Exact mass
219.0507 Da
logP
2.07Crippen 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
117324-58-0
SMILES
COC(=O)C1=C(C=CC(=C1)C(F)(F)F)N
InChIKey
QGFUDNJZHZNPCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H8F3NO2/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4H,13H2,1H3

Weigh it out

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

Work with Methyl 2-amino-5-(trifluoromethyl)benzoate

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-5-fluorobenzoate319-24-463 % similar Methyl 5-methylanthranilate18595-16-960 % similar Methyl 2-amino-5-methoxybenzoate2475-80-160 % similar Methyl 5-hydroxyanthranilate1882-72-059 % similar Methyl 2-amino-5-chlorobenzoate5202-89-159 % similar Methyl 2-amino-5-bromobenzoate52727-57-859 % similar Methyl 2-amino-5-iodobenzoate77317-55-659 % similar 2-Amino-5-(trifluoromethyl)benzoic acid83265-53-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)-dl-phenylglycine142012-65-5 Ethyl 2-(Trifluoromethyl)nicotinate208517-35-5 2-(Trifluoromethyl)-DL-phenylglycine240490-00-0 3-(Trifluoromethyl)-DL-phenylglycine242475-26-9 Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-0 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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