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129200-98-2

129200-98-2 | 2-Propenenitrile, 3-(4-chlorophenyl)-2-(phenylsulfonyl)-, (2E)-

CAS No: 129200-98-2 Catalog No: AG000YY6 MDL No:MFCD03425821

Product Description

Catalog Number:
AG000YY6
Chemical Name:
2-Propenenitrile, 3-(4-chlorophenyl)-2-(phenylsulfonyl)-, (2E)-
CAS Number:
129200-98-2
Molecular Formula:
C15H10ClNO2S
Molecular Weight:
303.7634
MDL Number:
MFCD03425821
IUPAC Name:
(E)-2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C15H10ClNO2S/c16-13-8-6-12(7-9-13)10-15(11-17)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+
InChI Key:
XXQWGNZCCQXAFY-XNTDXEJSSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)Cl)/S(=O)(=O)c1ccccc1

Properties

Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
303.012g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.76g/mol
Monoisotopic Mass:
303.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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