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Home > Sulfanilamide > 855-12-9
855-12-9 | Benzenesulfonamide, 4-[(1-acetyl-2-oxopropyl)azo]-N-phenyl-
CAS No: 855-12-9 Catalog No: AG004JIT MDL No:
Product Description
Catalog Number:
AG004JIT
Chemical Name:
Benzenesulfonamide, 4-[(1-acetyl-2-oxopropyl)azo]-N-phenyl-
CAS Number:
855-12-9
Molecular Formula:
C17H17N3O4S
Molecular Weight:
359.3996
IUPAC Name:
4-(2,4-dioxopentan-3-yldiazenyl)-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C17H17N3O4S/c1-12(21)17(13(2)22)19-18-14-8-10-16(11-9-14)25(23,24)20-15-6-4-3-5-7-15/h3-11,17,20H,1-2H3
InChI Key:
BOKVYBJIQZZQDH-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.4g/mol
Monoisotopic Mass:
359.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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