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1965290-11-2 | trans-2-(3-Chloro-2-methylphenyl)cyclohexanol
CAS No: 1965290-11-2 Catalog No: AG01FAGY MDL No:
Product Description
Catalog Number:
AG01FAGY
Chemical Name:
trans-2-(3-Chloro-2-methylphenyl)cyclohexanol
CAS Number:
1965290-11-2
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
(1S,2R)-2-(3-chloro-2-methylphenyl)cyclohexan-1-ol
InChI:
InChI=1S/C13H17ClO/c1-9-10(6-4-7-12(9)14)11-5-2-3-8-13(11)15/h4,6-7,11,13,15H,2-3,5,8H2,1H3/t11-,13+/m1/s1
InChI Key:
TWBNRYDXJYKDRW-YPMHNXCESA-N
SMILES:
O[C@H]1CCCC[C@@H]1c1cccc(c1C)Cl
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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