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75142-03-9 | Benzenesulfenamide, 4-chloro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No: 75142-03-9 Catalog No: AG005E37 MDL No:
Product Description
Catalog Number:
AG005E37
Chemical Name:
Benzenesulfenamide, 4-chloro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS Number:
75142-03-9
Molecular Formula:
C12H8ClNOS
Molecular Weight:
249.7160
IUPAC Name:
4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C12H8ClNOS/c13-9-1-7-12(8-2-9)16-14-10-3-5-11(15)6-4-10/h1-8H
InChI Key:
DBBDFIRABXCOSN-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=NSc2ccc(cc2)Cl)C=C1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.712g/mol
Monoisotopic Mass:
249.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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