chempirical

2-Bromo-6-nitrobenzenamine

C6H5BrN2O2CAS 59255-95-7217.02 g/mol

Open in Covalent MOL file
NH2BrN+OO−
Aryl halideNitroPrimary amine

Properties

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

Identifiers

CAS number
59255-95-7
SMILES
Nc1c(Br)cccc1[N+](=O)[O-]
InChIKey
KKMOSYLWYLMHAL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2

Weigh it out

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Names and synonyms

5 names
  • Benzenamine, 2-bromo-6-nitro-
  • Aniline, 2-bromo-6-nitro-
  • 2-Bromo-6-nitroaniline
  • 2-Amino-3-bromonitrobenzene
  • 2-Bromo-6-nitrophenylamine

Work with 2-Bromo-6-nitrobenzenamine

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

3-Nitro-1,2-phenylenediamine3694-52-866 % similar 2-Chloro-6-nitrobenzenamine769-11-964 % similar 1-Bromo-2-nitrobenzene577-19-563 % similar 2-Fluoro-6-nitrobenzenamine17809-36-862 % similar 2-Amino-3-nitrophenol603-85-062 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-861 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-461 % similar 2-Bromo-4,6-dinitroaniline1817-73-860 % 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 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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