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102169-99-3 | Benzenamine, 2-bromo-4-methyl-5-nitro-
CAS No: 102169-99-3 Catalog No: AG0006SG MDL No:MFCD01239994
Product Description
Catalog Number:
AG0006SG
Chemical Name:
Benzenamine, 2-bromo-4-methyl-5-nitro-
CAS Number:
102169-99-3
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD01239994
IUPAC Name:
2-bromo-4-methyl-5-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,9H2,1H3
InChI Key:
MZYLMACPWDPBQN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(cc1C)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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