2-Bromo-4-chloro-6-nitrobenzenamine

C₆H₄BrClN₂O₂CAS 827-25-8251.46 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄BrClN₂O₂
Molar mass: 251.46 g/mol
Exact mass: 249.9145 Da
Melting point: 106 °C
logP: 2.59Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

827-25-8

SMILES

Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]

InChIKey

NPCIWMOFULRTDX-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 2-bromo-4-chloro-6-nitro-
Aniline, 2-bromo-4-chloro-6-nitro-
2-Bromo-4-chloro-6-nitroaniline

Work with 2-Bromo-4-chloro-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

2-Bromo-4,6-dinitroaniline1817-73-867 % similar 2,4-Dichloro-6-nitroaniline2683-43-467 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-565 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-763 % similar 2-Bromo-6-nitrobenzenamine59255-95-761 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-659 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-159 % similar 2,6-Dibromo-4-chloroaniline874-17-956 % 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 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-2 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-2 2-Bromo-6-chloro-4-nitroaniline99-29-6

Elsewhere

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