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142059-34-5 | Benzamide, 4-(3,3-dimethyl-1-oxido-1-triazenyl)-, (Z)- (9CI)
CAS No: 142059-34-5 Catalog No: AG001HNN MDL No:
Product Description
Catalog Number:
AG001HNN
Chemical Name:
Benzamide, 4-(3,3-dimethyl-1-oxido-1-triazenyl)-, (Z)- (9CI)
CAS Number:
142059-34-5
Molecular Formula:
C9H12N4O2
Molecular Weight:
208.2172
IUPAC Name:
(4-carbamoylphenyl)-(dimethylhydrazinylidene)-oxidoazanium
InChI:
InChI=1S/C9H12N4O2/c1-12(2)11-13(15)8-5-3-7(4-6-8)9(10)14/h3-6H,1-2H3,(H2,10,14)
InChI Key:
YWIHFBZHXREQAB-UHFFFAOYSA-N
SMILES:
CN(N=[N+](c1ccc(cc1)C(=O)N)[O-])C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.221g/mol
Monoisotopic Mass:
208.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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