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1965290-10-1 | trans-2-(3-Chloro-6-methylphenyl)cyclohexanol
CAS No: 1965290-10-1 Catalog No: AG01FAGX MDL No:
Product Description
Catalog Number:
AG01FAGX
Chemical Name:
trans-2-(3-Chloro-6-methylphenyl)cyclohexanol
CAS Number:
1965290-10-1
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
(1S,2R)-2-(5-chloro-2-methylphenyl)cyclohexan-1-ol
InChI:
InChI=1S/C13H17ClO/c1-9-6-7-10(14)8-12(9)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3/t11-,13+/m1/s1
InChI Key:
FLPJXNNOOHUMLG-YPMHNXCESA-N
SMILES:
O[C@H]1CCCC[C@@H]1c1cc(Cl)ccc1C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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