chempirical

2-Amino-3,5-dibromobenzoic acid

C7H5Br2NO2CAS 609-85-8294.93 g/mol

Open in Covalent MOL file
NH2BrBrOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H5Br2NO2
Molar mass
294.93 g/mol
Exact mass
292.8687 Da
Melting point
235–235.5 °C
logP
2.49Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
609-85-8
SMILES
Nc1c(Br)cc(Br)cc1C(=O)O
InChIKey
WNABMWFLKQEGCP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-amino-3,5-dibromo-
  • Anthranilic acid, 3,5-dibromo-
  • 3,5-Dibromoanthranilic acid
  • NA 693
  • NSC 886

Work with 2-Amino-3,5-dibromobenzoic 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-3-bromo-5-methylbenzoic acid13091-43-567 % similar 3,5-Dibromosalicylic acid3147-55-563 % similar 2-Amino-3-bromobenzoic acid20776-51-660 % similar 2,5-Dibromobenzoic acid610-71-957 % similar 2,4-Dibromobenzoic acid611-00-757 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-956 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-856 % similar 2-Amino-5-bromobenzoic acid5794-88-754 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook