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141912-43-8 | Diazenecarboxamide, 2-(4-methylphenyl)-, 2-oxide
CAS No: 141912-43-8 Catalog No: AG001HDV MDL No:
Product Description
Catalog Number:
AG001HDV
Chemical Name:
Diazenecarboxamide, 2-(4-methylphenyl)-, 2-oxide
CAS Number:
141912-43-8
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
carbamoylimino-(4-methylphenyl)-oxidoazanium
InChI:
InChI=1S/C8H9N3O2/c1-6-2-4-7(5-3-6)11(13)10-8(9)12/h2-5H,1H3,(H2,9,12)
InChI Key:
QFRPMLIPOXNMJQ-UHFFFAOYSA-N
SMILES:
NC(=O)N=[N+](c1ccc(cc1)C)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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