4-Bromo-2-methyl-6-nitrobenzenamine

C₇H₇BrN₂O₂CAS 77811-44-0231.05 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
logP: 2.25Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

77811-44-0

SMILES

Cc1cc(Br)cc([N+](=O)[O-])c1N

InChIKey

ZXFVKFUXKFPUQJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

4 names

Benzenamine, 4-bromo-2-methyl-6-nitro-
4-Bromo-2-methyl-6-nitroaniline
4-Bromo-2-methyl-6-nitrophenylamine
4-Bromo-6-methyl-2-nitroaniline

Work with 4-Bromo-2-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 4-Bromo-1-methyl-2-nitrobenzene60956-26-559 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-856 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-855 % similar 4-Bromo-2-nitroaniline875-51-451 % similar 2-Bromo-4,6-dinitroaniline1817-73-850 % similar 2,4,6-Trinitroaniline489-98-550 % similar 4,5-Dimethyl-2-nitrobenzenamine6972-71-050 % similar

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

Same formula

2-Bromo-6-methyl-4-nitroaniline102170-56-9 2-Bromo-4-methyl-6-nitrobenzenamine827-24-7

Elsewhere

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