4-Bromo-5-methyl-2-nitroaniline

C₇H₇BrN₂O₂CAS 827-32-7231.05 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
logP: 2.25Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

827-32-7

SMILES

CC1=CC(=C(C=C1Br)[N+](=O)[O-])N

InChIKey

POWJQZRBSYOVIJ-UHFFFAOYSA-N

InChI

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

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Work with 4-Bromo-5-methyl-2-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

4,5-Dimethyl-2-nitrobenzenamine6972-71-073 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-171 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-159 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-659 % similar 2,4-Dimethyl-5-nitroaniline2124-47-258 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-855 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-755 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-655 % similar

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

Same formula

2-Bromo-6-methyl-4-nitroaniline102170-56-9 Methyl 6-amino-5-bromopicolinate178876-82-9 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-0 2-Bromo-4-methyl-6-nitrobenzenamine827-24-7

Elsewhere

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