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13249-96-2 | Naphthalene, 1-(phenylsulfonyl)-
CAS No: 13249-96-2 Catalog No: AG0010QT MDL No:
Product Description
Catalog Number:
AG0010QT
Chemical Name:
Naphthalene, 1-(phenylsulfonyl)-
CAS Number:
13249-96-2
Molecular Formula:
C16H12O2S
Molecular Weight:
268.3303
IUPAC Name:
1-(benzenesulfonyl)naphthalene
InChI:
InChI=1S/C16H12O2S/c17-19(18,14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChI Key:
RBSJYIWGJOQHJL-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1cccc2)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.33g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 1-(Phenyl-sulfon-yl)naphthalene. | Acta crystallographica. Section E, Structure reports online 20120801 |
| Reaction of magnesium alkylidene carbenoids with lithium alpha-sulfonyl carbanions: a novel synthesis of tri- and tetra-substituted allenes from 1-chlorovinyl p-tolyl sulfoxides and sulfones. | Chemical & pharmaceutical bulletin 20030801 |
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