chempirical

2-Bromo-4,6-dinitroaniline

C6H4BrN3O4CAS 1817-73-8262.02 g/mol

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

Properties

Molecular formula
C6H4BrN3O4
Molar mass
262.02 g/mol
Exact mass
260.9385 Da
Melting point
153 °C
logP
1.85Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
1817-73-8
SMILES
Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
KWMDHCLJYMVBNS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

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Names and synonyms

7 names
  • Benzenamine, 2-bromo-4,6-dinitro-
  • Aniline, 2-bromo-4,6-dinitro-
  • 2-Bromo-4,6-dinitrobenzenamine
  • 6-Bromo-2,4-dinitroaniline
  • 2-Bromo-4,6-dinitroaminobenzene
  • 2,4-Dinitro-6-bromoaniline
  • NSC 16572

Work with 2-Bromo-4,6-dinitroaniline

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-nitroaniline827-94-180 % similar 2,4,6-Trinitroaniline489-98-573 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-569 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-669 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-967 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-767 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-867 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-162 % similar

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

Elsewhere

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