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88062-56-0 | Cyclohexanol, 2-[(2,3-dichloro-4-methoxyphenyl)thio]-, trans-
CAS No: 88062-56-0 Catalog No: AG004L95 MDL No:
Product Description
Catalog Number:
AG004L95
Chemical Name:
Cyclohexanol, 2-[(2,3-dichloro-4-methoxyphenyl)thio]-, trans-
CAS Number:
88062-56-0
Molecular Formula:
C13H16Cl2O2S
Molecular Weight:
307.2359
IUPAC Name:
(1R,2R)-2-(2,3-dichloro-4-methoxyphenyl)sulfanylcyclohexan-1-ol
InChI:
InChI=1S/C13H16Cl2O2S/c1-17-9-6-7-11(13(15)12(9)14)18-10-5-3-2-4-8(10)16/h6-8,10,16H,2-5H2,1H3/t8-,10-/m1/s1
InChI Key:
XKICFQSNGXXDKN-PSASIEDQSA-N
SMILES:
COc1ccc(c(c1Cl)Cl)S[C@@H]1CCCC[C@H]1O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
306.025g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.229g/mol
Monoisotopic Mass:
306.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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