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918340-99-5 | Benzonitrile, 4-[(1E)-2-(phenylsulfinyl)ethenyl]-
CAS No: 918340-99-5 Catalog No: AG006G4R MDL No:
Product Description
Catalog Number:
AG006G4R
Chemical Name:
Benzonitrile, 4-[(1E)-2-(phenylsulfinyl)ethenyl]-
CAS Number:
918340-99-5
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
4-[2-(benzenesulfinyl)ethenyl]benzonitrile
InChI:
InChI=1S/C15H11NOS/c16-12-14-8-6-13(7-9-14)10-11-18(17)15-4-2-1-3-5-15/h1-11H
InChI Key:
QOUPOADLZBLQER-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)/C=C/S(=O)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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