Home Nitros 1,2-Benzenediamine, 4-methyl-3-nitro-

1,2-Benzenediamine, 4-methyl-3-nitro-

CAS No.:
147021-86-1
Catalog Number:
AG001EII
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
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Product Description
Catalog Number:
AG001EII
Chemical Name:
1,2-Benzenediamine, 4-methyl-3-nitro-
CAS Number:
147021-86-1
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD01318633
IUPAC Name:
4-methyl-3-nitrobenzene-1,2-diamine
InChI:
InChI=1S/C7H9N3O2/c1-4-2-3-5(8)6(9)7(4)10(11)12/h2-3H,8-9H2,1H3
InChI Key:
UOFSMFMNGAKHJO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc(c1N)N
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties