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83482-83-1 | Methanesulfonamide, N-[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]-
CAS No: 83482-83-1 Catalog No: AG004VB1 MDL No:
Product Description
Catalog Number:
AG004VB1
Chemical Name:
Methanesulfonamide, N-[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]-
CAS Number:
83482-83-1
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
N-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methanesulfonamide
InChI:
InChI=1S/C13H12N2O2S/c1-18(16,17)15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
VBSFBBXMHSLEAM-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N=C1C=CC(=Nc2ccccc2)C=C1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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