2-Bromo-4-methyl-6-nitrobenzenamine

C₇H₇BrN₂O₂CAS 827-24-7231.05 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₇BrN₂O₂
Molar mass: 231.05 g/mol
Exact mass: 229.9691 Da
Melting point: 63–64 °C
logP: 2.25Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

827-24-7

SMILES

Cc1cc(Br)c(N)c([N+](=O)[O-])c1

InChIKey

VFPKZASVVCBVMG-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3

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Names and synonyms

4 names

Benzenamine, 2-bromo-4-methyl-6-nitro-
p-Toluidine, 2-bromo-6-nitro-
2-Bromo-4-methyl-6-nitroaniline
(2-Bromo-4-methyl-6-nitrophenyl)amine

Work with 2-Bromo-4-methyl-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

2,4-Dimethyl-6-nitroaniline1635-84-367 % similar 2-Bromo-4,6-dinitroaniline1817-73-867 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-565 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-863 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-863 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-159 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-159 % similar 2-Bromo-6-nitrobenzenamine59255-95-757 % similar

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

Same formula

2-Bromo-6-methyl-4-nitroaniline102170-56-9 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-0

Elsewhere

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