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76350-79-3 | Cyclohexanol, 1-(3-chlorophenyl)-3-methyl-
CAS No: 76350-79-3 Catalog No: AG00562O MDL No:
Product Description
Catalog Number:
AG00562O
Chemical Name:
Cyclohexanol, 1-(3-chlorophenyl)-3-methyl-
CAS Number:
76350-79-3
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
1-(3-chlorophenyl)-3-methylcyclohexan-1-ol
InChI:
InChI=1S/C13H17ClO/c1-10-4-3-7-13(15,9-10)11-5-2-6-12(14)8-11/h2,5-6,8,10,15H,3-4,7,9H2,1H3
InChI Key:
VFIQBQAZDAFZKR-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)(O)c1cccc(c1)Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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