chempirical

2-Amino-5-bromobenzoic acid

C7H6BrNO2CAS 5794-88-7216.03 g/mol

Open in Covalent MOL file
H2NBrOOH
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
219.5 °C
logP
1.73Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
5794-88-7
SMILES
Nc1ccc(Br)cc1C(=O)O
InChIKey
CUKXRHLWPSBCTI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

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

Names and synonyms

6 names
  • Benzoic acid, 2-amino-5-bromo-
  • Anthranilic acid, 5-bromo-
  • 5-Bromo-2-aminobenzoic acid
  • 5-Bromoanthranilic acid
  • NSC 97201
  • 4-Bromo-2-carboxyaniline

Work with 2-Amino-5-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-Bromophthalic acid6968-28-168 % similar 5-Hydroxyanthranilic acid394-31-067 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 5-Bromosalicylic acid89-55-462 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar 2-Amino-5-methylbenzoic acid2941-78-860 % similar 2-Amino-5-fluorobenzoic acid446-08-260 % 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-4-bromobenzoic acid20776-50-5 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

Elsewhere

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