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88430-90-4 | Naphthalene, 2-[[(1-phenylethyl)sulfonyl]methyl]-
CAS No: 88430-90-4 Catalog No: AG004HMU MDL No:
Product Description
Catalog Number:
AG004HMU
Chemical Name:
Naphthalene, 2-[[(1-phenylethyl)sulfonyl]methyl]-
CAS Number:
88430-90-4
Molecular Formula:
C19H18O2S
Molecular Weight:
310.4100
IUPAC Name:
2-(1-phenylethylsulfonylmethyl)naphthalene
InChI:
InChI=1S/C19H18O2S/c1-15(17-7-3-2-4-8-17)22(20,21)14-16-11-12-18-9-5-6-10-19(18)13-16/h2-13,15H,14H2,1H3
InChI Key:
KSZHZCFODWNPIG-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)Cc1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.411g/mol
Monoisotopic Mass:
310.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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