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13171-58-9 | 1,3-Benzenediamine, 2,4,6-trimethyl-5-nitro-
CAS No: 13171-58-9 Catalog No: AG000ZM5 MDL No:
Product Description
Catalog Number:
AG000ZM5
Chemical Name:
1,3-Benzenediamine, 2,4,6-trimethyl-5-nitro-
CAS Number:
13171-58-9
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2,4,6-trimethyl-5-nitrobenzene-1,3-diamine
InChI:
InChI=1S/C9H13N3O2/c1-4-7(10)5(2)9(12(13)14)6(3)8(4)11/h10-11H2,1-3H3
InChI Key:
JLBUUEYPQXGTRY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(N)c(c(c1C)N)C
NSC Number:
159421
Properties
Complexity:
213
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:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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