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101894-05-7 | Naphthalene, 1-[2-[(4-methylphenyl)sulfonyl]ethenyl]-
CAS No: 101894-05-7 Catalog No: AG0005UG MDL No:
Product Description
Catalog Number:
AG0005UG
Chemical Name:
Naphthalene, 1-[2-[(4-methylphenyl)sulfonyl]ethenyl]-
CAS Number:
101894-05-7
Molecular Formula:
C19H16O2S
Molecular Weight:
308.3941
IUPAC Name:
1-[2-(4-methylphenyl)sulfonylethenyl]naphthalene
InChI:
InChI=1S/C19H16O2S/c1-15-9-11-18(12-10-15)22(20,21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-14H,1H3
InChI Key:
GTKQXJUTJURVBU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C=Cc1cccc2c1cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.395g/mol
Monoisotopic Mass:
308.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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