chempirical

2-Bromo-6-chloro-4-nitroaniline

C6H4BrClN2O2CAS 99-29-6251.46 g/mol

Open in Covalent MOL file
H2NClN+OO−Br
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4BrClN2O2
Molar mass
251.46 g/mol
Exact mass
249.9145 Da
Melting point
177.4 °C
logP
2.59Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
99-29-6
SMILES
Nc1c(Cl)cc([N+](=O)[O-])cc1Br
InChIKey
GLUCALKKMFBJEB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

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Names and synonyms

9 names
  • Benzenamine, 2-bromo-6-chloro-4-nitro-
  • Aniline, 2-bromo-6-chloro-4-nitro-
  • 2-Bromo-6-chloro-4-nitrobenzenamine
  • 2-Bromo-4-nitro-6-chloroaniline
  • 2-Chloro-6-bromo-4-nitroaniline
  • 6-Bromo-2-chloro-4-nitroaniline
  • NSC 88985
  • 1-Amino-2-bromo-4-nitro-6-chlorobenzene
  • 2-Chloro-4-nitro-6-bromoaniline

Work with 2-Bromo-6-chloro-4-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

2,6-Dibromo-4-nitroaniline827-94-177 % similar 2,6-Dichloro-4-nitroaniline99-30-977 % similar 2-Bromo-4,6-dinitroaniline1817-73-869 % similar 6-Chloro-2,4-dinitroaniline3531-19-969 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-965 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-665 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-461 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-161 % similar

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

Same formula

3-Bromo-6-chloro-2-methyl-5-nitropyridine186413-75-2 2-Bromo-4-chloro-6-nitrobenzenamine827-25-8 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-2 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-2

Elsewhere

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