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101446-68-8 | Naphthalene, 1-[[(4-chlorophenyl)thio]methyl]-
CAS No: 101446-68-8 Catalog No: AG0004I8 MDL No:
Product Description
Catalog Number:
AG0004I8
Chemical Name:
Naphthalene, 1-[[(4-chlorophenyl)thio]methyl]-
CAS Number:
101446-68-8
Molecular Formula:
C17H13ClS
Molecular Weight:
284.8031
IUPAC Name:
1-[(4-chlorophenyl)sulfanylmethyl]naphthalene
InChI:
InChI=1S/C17H13ClS/c18-15-8-10-16(11-9-15)19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2
InChI Key:
QAXBXZJETLWZED-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCc1cccc2c1cccc2
NSC Number:
35372
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.801g/mol
Monoisotopic Mass:
284.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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