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100716-85-6 | Benzene, 1-chloro-4-[[(4-methylphenyl)thio]methyl]-
CAS No: 100716-85-6 Catalog No: AG0002PL MDL No:
Product Description
Catalog Number:
AG0002PL
Chemical Name:
Benzene, 1-chloro-4-[[(4-methylphenyl)thio]methyl]-
CAS Number:
100716-85-6
Molecular Formula:
C14H13ClS
Molecular Weight:
248.7710
IUPAC Name:
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C14H13ClS/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h2-9H,10H2,1H3
InChI Key:
KUXLWHVGZOZRDP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCc1ccc(cc1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.768g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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