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88680-89-1 | Benzenesulfonamide, N-(4-imino-2,5-cyclohexadien-1-ylidene)-
CAS No: 88680-89-1 Catalog No: AG0047GH MDL No:
Product Description
Catalog Number:
AG0047GH
Chemical Name:
Benzenesulfonamide, N-(4-imino-2,5-cyclohexadien-1-ylidene)-
CAS Number:
88680-89-1
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
IUPAC Name:
N-(4-iminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
InChI:
InChI=1S/C12H10N2O2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,13H
InChI Key:
CCPMIAPXSZVUAB-UHFFFAOYSA-N
SMILES:
N=C1C=CC(=NS(=O)(=O)c2ccccc2)C=C1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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