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88703-71-3 | 2-Propenenitrile, 3-chloro-2-methyl-3-[(4-methylphenyl)sulfonyl]-, (Z)-
CAS No: 88703-71-3 Catalog No: AG0047ES MDL No:
Product Description
Catalog Number:
AG0047ES
Chemical Name:
2-Propenenitrile, 3-chloro-2-methyl-3-[(4-methylphenyl)sulfonyl]-, (Z)-
CAS Number:
88703-71-3
Molecular Formula:
C11H10ClNO2S
Molecular Weight:
255.7206
IUPAC Name:
3-chloro-2-methyl-3-(4-methylphenyl)sulfonylprop-2-enenitrile
InChI:
InChI=1S/C11H10ClNO2S/c1-8-3-5-10(6-4-8)16(14,15)11(12)9(2)7-13/h3-6H,1-2H3
InChI Key:
YKWSPSGBLDYIOS-UHFFFAOYSA-N
SMILES:
N#C/C(=C(/S(=O)(=O)c1ccc(cc1)C)\Cl)/C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.716g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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