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82651-72-7 | 2-(Phenylsulfonylmethyl)benzonitrile , 98%
CAS No: 82651-72-7 Catalog No: AG003F43 MDL No:MFCD06797158
Product Description
Catalog Number:
AG003F43
Chemical Name:
2-(Phenylsulfonylmethyl)benzonitrile , 98%
CAS Number:
82651-72-7
MDL Number:
MFCD06797158
IUPAC Name:
2-(benzenesulfonylmethyl)benzonitrile
InChI:
InChI=1S/C14H11NO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,11H2
InChI Key:
MDVRSLRSVHAHNX-UHFFFAOYSA-N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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