chempirical

3-Bromo-2-nitroaniline

C6H5BrN2O2CAS 7138-15-0217.02 g/mol

Open in Covalent MOL file
BrN+OO−NH2
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
logP
1.94Crippen estimate
Polar surface area
69.2 Ų
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
7138-15-0
SMILES
C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N
InChIKey
GLKHLBAXHLAQBJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2

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Work with 3-Bromo-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

3-Chloro-2-nitrobenzenamine59483-54-464 % similar 3-Fluoro-2-nitrobenzenamine567-63-562 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-660 % similar 3-Bromo-2-nitrotoluene52414-97-859 % similar 2-Bromo-6-nitrobenzenamine59255-95-759 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-559 % similar 2-Nitro-3-(trifluoromethyl)aniline386-71-057 % similar 3-Nitro-1,2-phenylenediamine3694-52-856 % similar

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

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0

Elsewhere

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