chempirical

2-Bromo-6-methyl-4-nitroaniline

C7H7BrN2O2CAS 102170-56-9231.05 g/mol

Open in Covalent MOL file
H2NBrN+OO−
Aryl halideNitroPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
102170-56-9
SMILES
CC1=CC(=CC(=C1N)Br)[N+](=O)[O-]
InChIKey
DCNWQCOXGLGSRC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3

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Work with 2-Bromo-6-methyl-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-nitroaniline827-94-175 % similar 2-Bromo-4,6-dinitroaniline1817-73-867 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-665 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-663 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-459 % similar 2-Bromo-1-methyl-4-nitrobenzene7745-93-959 % similar 2-Amino-3-bromo-5-nitrobenzonitrile17601-94-459 % similar 2,6-Dimethyl-4-nitrophenol2423-71-451 % similar

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

Same formula

4-Bromo-2-methyl-6-nitrobenzenamine77811-44-0 2-Bromo-4-methyl-6-nitrobenzenamine827-24-7

Elsewhere

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