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129200-97-1 | 2-Propenenitrile, 3-(4-methylphenyl)-2-(phenylsulfonyl)-, (2E)-
CAS No: 129200-97-1 Catalog No: AG000YY7 MDL No:
Product Description
Catalog Number:
AG000YY7
Chemical Name:
2-Propenenitrile, 3-(4-methylphenyl)-2-(phenylsulfonyl)-, (2E)-
CAS Number:
129200-97-1
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H13NO2S/c1-13-7-9-14(10-8-13)11-16(12-17)20(18,19)15-5-3-2-4-6-15/h2-11H,1H3
InChI Key:
XWJMFCVSNXHBKS-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)C)/S(=O)(=O)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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