chempirical

4-Bromo-2-nitroaniline

C6H5BrN2O2CAS 875-51-4217.02 g/mol

Open in Covalent MOL file
H2NBrN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
Melting point
111.5 °C
logP
1.94Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
875-51-4
SMILES
Nc1ccc(Br)cc1[N+](=O)[O-]
InChIKey
ZCWBZRBJSPWUPG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

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Names and synonyms

10 names
  • Benzenamine, 4-bromo-2-nitro-
  • Aniline, 4-bromo-2-nitro-
  • 4-Bromo-2-nitrobenzenamine
  • p-Bromo-o-nitroaniline
  • 4-Bromo-o-nitroaniline
  • 1-Amino-4-bromo-2-nitrobenzene
  • 2-Nitro-4-bromoaniline
  • NSC 10069
  • NSC 37396
  • (4-Bromo-2-nitrophenyl)amine

Work with 4-Bromo-2-nitroaniline

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-Bromo-1,2-dinitrobenzene610-38-868 % similar 4-Amino-3-nitrophenol610-81-165 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar Nitro-P-phenylenediamine5307-14-264 % similar 2,4-Dinitroaniline97-02-964 % similar 4-Fluoro-2-nitroaniline364-78-362 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-860 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-260 % similar

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

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-6-methyl-3-nitropyridine374633-31-5 4-Bromo-3-nitrobenzenamine53324-38-2 2-Bromo-6-nitrobenzenamine59255-95-7

Elsewhere

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