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136333-71-6 | Cyclohexanone, 3-(4-chlorophenyl)-
CAS No: 136333-71-6 Catalog No: AG0011O7 MDL No:MFCD16659536
Product Description
Catalog Number:
AG0011O7
Chemical Name:
Cyclohexanone, 3-(4-chlorophenyl)-
CAS Number:
136333-71-6
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
MDL Number:
MFCD16659536
IUPAC Name:
3-(4-chlorophenyl)cyclohexan-1-one
InChI:
InChI=1S/C12H13ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-7,10H,1-3,8H2
InChI Key:
GOIKJBFDOSEDRS-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ccc(cc1)Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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