chempirical

Methyl 2-amino-4-chloro-5-fluorobenzoate

C8H7ClFNO2CAS 104901-79-3203.60 g/mol

Open in Covalent MOL file
OOH2NClF
Aryl halideEsterPrimary amine

Properties

Molecular formula
C8H7ClFNO2
Molar mass
203.60 g/mol
Exact mass
203.0149 Da
logP
1.85Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
104901-79-3
SMILES
COC(=O)C1=CC(=C(C=C1N)Cl)F
InChIKey
GLUDXCLLUWRJRA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3

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Work with Methyl 2-amino-4-chloro-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-amino-5-fluorobenzoate319-24-456 % similar Methyl 2-amino-5-chlorobenzoate5202-89-156 % similar Methyl 2-amino-3-chlorobenzoate77820-58-755 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-654 % similar Methyl 3-amino-2-fluorobenzoate1195768-18-354 % similar Methyl 2-amino-4-chlorobenzoate5900-58-354 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-652 % similar Methyl 2-chlorobenzoate610-96-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-1

Elsewhere

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