chempirical

2-Amino-3-bromobenzoic acid

C7H6BrNO2CAS 20776-51-6216.03 g/mol

Open in Covalent MOL file
NH2BrOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
171–174 °C
logP
1.73Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
20776-51-6
SMILES
Nc1c(Br)cccc1C(=O)O
InChIKey
SRIZNTFPBWRGPB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-amino-3-bromo-
  • Anthranilic acid, 3-bromo-
  • 3-Bromoanthranilic acid
  • NSC 112517
  • 3-Bromo-2-aminobenzoic acid

Work with 2-Amino-3-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

2,3-Diaminobenzoic acid603-81-666 % similar 3-Hydroxyanthranilic acid548-93-664 % similar 2-Amino-3-chlorobenzoic acid6388-47-264 % similar 2-Bromobenzoic acid88-65-363 % similar 2-Amino-3-iodobenzoic acid20776-55-062 % similar 2-Amino-3-methylbenzoic acid4389-45-162 % similar 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-161 % similar 5-Bromonaphthalene-1-carboxylic acid16726-67-361 % 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-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 Methyl 6-bromopyridine-3-carboxylate26218-78-0

Elsewhere

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