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138502-20-2 | Naphthalene, 1-[2-(phenylsulfonyl)ethoxy]-
CAS No: 138502-20-2 Catalog No: AG0019BK MDL No:
Product Description
Catalog Number:
AG0019BK
Chemical Name:
Naphthalene, 1-[2-(phenylsulfonyl)ethoxy]-
CAS Number:
138502-20-2
Molecular Formula:
C18H16O3S
Molecular Weight:
312.3828
IUPAC Name:
1-[2-(benzenesulfonyl)ethoxy]naphthalene
InChI:
InChI=1S/C18H16O3S/c19-22(20,16-9-2-1-3-10-16)14-13-21-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2
InChI Key:
LYVCIIYEEQGRML-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)CCOc1cccc2c1cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.383g/mol
Monoisotopic Mass:
312.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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