Methyl 4-amino-3-bromobenzoate

C₈H₈BrNO₂CAS 106896-49-5230.06 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₈H₈BrNO₂
Molar mass: 230.06 g/mol
Exact mass: 228.9738 Da
logP: 1.82Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

106896-49-5

SMILES

COC(=O)c1ccc(N)c(Br)c1

InChIKey

AIUWAOALZYWQBX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 4-amino-3-bromo-, methyl ester
2-Bromo-4-methoxycarbonylaniline
4-Amino-3-bromobenzoic acid methyl ester

Work with Methyl 4-amino-3-bromobenzoate

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

1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-267 % similar Methyl 3-bromo-4-methylbenzoate104901-43-165 % similar Methyl 4-amino-3-methylbenzoate18595-14-765 % similar Methyl 4-amino-3-methoxybenzoate41608-64-465 % similar Dimethyl 3-aminoterephthalate5372-81-664 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-563 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-663 % similar Methyl 3-amino-4-methylbenzoate18595-18-161 % similar

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

Same formula

2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Methyl 2-amino-5-bromobenzoate52727-57-8 4-Nitrophenethyl bromide5339-26-4 Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-7

Elsewhere

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