2-Amino-4-bromobenzoic acid

C₇H₆BrNO₂CAS 20776-50-5216.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
Melting point: 222 °C
logP: 1.73Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

20776-50-5

SMILES

Nc1cc(Br)ccc1C(=O)O

InChIKey

BNNICQAVXPXQAH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-amino-4-bromo-
Anthranilic acid, 4-bromo-
4-Bromoanthranilic acid
5-Bromo-2-carboxyaniline

Work with 2-Amino-4-bromobenzoic acid

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

2-Amino-5-bromobenzoic acid5794-88-777 % similar 4-Bromophthalic acid6968-28-170 % similar 2,4-Dibromobenzoic acid611-00-766 % similar 2-Aminoterephthalic acid10312-55-763 % similar 4-Bromo-2-fluorobenzoic acid112704-79-762 % similar 4-Bromo-2-iodobenzoic acid1133123-02-062 % similar 4-Bromo-2-chlorobenzoic acid59748-90-262 % similar 4-Bromo-2-methylbenzoic acid68837-59-262 % similar

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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4 2-Nitrobenzyl bromide3958-60-9

Elsewhere

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