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155379-81-0 | 1,4-Benzenediamine, 2-(1-methylethyl)-6-nitro-
CAS No: 155379-81-0 Catalog No: AG001NV3 MDL No:
Product Description
Catalog Number:
AG001NV3
Chemical Name:
1,4-Benzenediamine, 2-(1-methylethyl)-6-nitro-
CAS Number:
155379-81-0
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2-nitro-6-propan-2-ylbenzene-1,4-diamine
InChI:
InChI=1S/C9H13N3O2/c1-5(2)7-3-6(10)4-8(9(7)11)12(13)14/h3-5H,10-11H2,1-2H3
InChI Key:
OYBZIBGHYYMOEF-UHFFFAOYSA-N
SMILES:
Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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