chempirical

2-Bromo-5-nitroaniline

C6H5BrN2O2CAS 10403-47-1217.02 g/mol

Open in Covalent MOL file
NH2N+OO−Br
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
Melting point
140 °C
logP
1.94Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
10403-47-1
SMILES
Nc1cc([N+](=O)[O-])ccc1Br
InChIKey
BAAUCXCLMDAZEL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenamine, 2-bromo-5-nitro-
  • Aniline, 2-bromo-5-nitro-
  • 2-Bromo-5-nitrobenzenamine
  • (2-Bromo-5-nitrophenyl)amine

Work with 2-Bromo-5-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

1-Bromo-2,4-dinitrobenzene584-48-564 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % similar 2-Fluoro-5-nitrobenzenamine369-36-860 % similar 2-Chloro-5-nitroaniline6283-25-660 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-460 % similar 2-Methyl-5-nitroaniline99-55-860 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-759 % similar 2-Amino-5-nitrophenol121-88-057 % 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-4-nitrobenzenamine13296-94-1 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-6-methyl-3-nitropyridine374633-31-5 4-Bromo-3-nitrobenzenamine53324-38-2 2-Bromo-6-nitrobenzenamine59255-95-7 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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