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14032-03-2 | Benzene, [(2-chlorocyclohexyl)thio]-
CAS No: 14032-03-2 Catalog No: AG001C8K MDL No:
Product Description
Catalog Number:
AG001C8K
Chemical Name:
Benzene, [(2-chlorocyclohexyl)thio]-
CAS Number:
14032-03-2
Molecular Formula:
C12H15ClS
Molecular Weight:
226.7655
IUPAC Name:
(2-chlorocyclohexyl)sulfanylbenzene
InChI:
InChI=1S/C12H15ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChI Key:
MEARZADTJSUNJR-UHFFFAOYSA-N
SMILES:
ClC1CCCCC1Sc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.762g/mol
Monoisotopic Mass:
226.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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