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Home > Nitro Compounds > 66975-03-9
66975-03-9 | Benzamide,2-(3-butyl-3-methyl-1-triazen-1-yl)-5-nitro-
CAS No: 66975-03-9 Catalog No: AG005RW4 MDL No:
Product Description
Catalog Number:
AG005RW4
Chemical Name:
Benzamide,2-(3-butyl-3-methyl-1-triazen-1-yl)-5-nitro-
CAS Number:
66975-03-9
Molecular Formula:
C12H17N5O3
Molecular Weight:
279.2951
IUPAC Name:
2-[[butyl(methyl)amino]diazenyl]-5-nitrobenzamide
InChI:
InChI=1S/C12H17N5O3/c1-3-4-7-16(2)15-14-11-6-5-9(17(19)20)8-10(11)12(13)18/h5-6,8H,3-4,7H2,1-2H3,(H2,13,18)
InChI Key:
KQMDMKAHNPCETR-UHFFFAOYSA-N
SMILES:
CCCCN(/N=N/c1ccc(cc1C(=O)N)[N+](=O)[O-])C
NSC Number:
143149
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.3g/mol
Monoisotopic Mass:
279.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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