5-Amino-2-bromobenzoic acid

C₇H₆BrNO₂CAS 2840-02-0216.03 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
logP: 1.73Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2840-02-0

SMILES

C1=CC(=C(C=C1N)C(=O)O)Br

InChIKey

FEXDUVBQBNYSQV-UHFFFAOYSA-N

InChI

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

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Work with 5-Amino-2-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

4-Aminophthalic acid5434-21-968 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-566 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-164 % similar 2-Bromo-5-hydroxybenzoic acid58380-11-362 % similar 5-Aminosalicylic acid89-57-662 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-360 % similar 2-Bromo-5-chlorobenzoic acid21739-93-560 % 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-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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