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1004033-45-7 | Benzenesulfonamide, 3-cyano-N-(3-methoxyphenyl)-
CAS No: 1004033-45-7 Catalog No: AG0001X6 MDL No:
Product Description
Catalog Number:
AG0001X6
Chemical Name:
Benzenesulfonamide, 3-cyano-N-(3-methoxyphenyl)-
CAS Number:
1004033-45-7
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
3-cyano-N-(3-methoxyphenyl)benzenesulfonamide
InChI:
InChI=1S/C14H12N2O3S/c1-19-13-6-3-5-12(9-13)16-20(17,18)14-7-2-4-11(8-14)10-15/h2-9,16H,1H3
InChI Key:
SLQOFPYEXXDIHM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NS(=O)(=O)c1cccc(c1)C#N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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