Benzenamine, 2-bromo-4-methyl-5-nitro-


Chemical Name: Benzenamine, 2-bromo-4-methyl-5-nitro-
CAS Number: 102169-99-3
Product Number: AG0006SG(AGN-PC-00IRWE)
Synonyms:
MDL No:
Molecular Formula: C7H7BrN2O2
Molecular Weight: 231.0467

Identification/Properties


Computed Properties
Molecular Weight:
231.049g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
229.969g/mol
Monoisotopic Mass:
229.969g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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