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155379-83-2 | 1,4-Benzenediamine, 2,5-dimethyl-3-nitro-
CAS No: 155379-83-2 Catalog No: AG001NV1 MDL No:
Product Description
Catalog Number:
AG001NV1
Chemical Name:
1,4-Benzenediamine, 2,5-dimethyl-3-nitro-
CAS Number:
155379-83-2
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
2,5-dimethyl-3-nitrobenzene-1,4-diamine
InChI:
InChI=1S/C8H11N3O2/c1-4-3-6(9)5(2)8(7(4)10)11(12)13/h3H,9-10H2,1-2H3
InChI Key:
OSLJLSOBKOGJHE-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c(c(c1C)[N+](=O)[O-])N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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