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1233011-42-1 | 4-Chlorophenyl cycloheptyl ketone
CAS No: 1233011-42-1 Catalog No: AG01FEBW MDL No:
Product Description
Catalog Number:
AG01FEBW
Chemical Name:
4-Chlorophenyl cycloheptyl ketone
CAS Number:
1233011-42-1
Molecular Formula:
C14H17ClO
Molecular Weight:
236.7372
IUPAC Name:
(4-chlorophenyl)-cycloheptylmethanone
InChI:
InChI=1S/C14H17ClO/c15-13-9-7-12(8-10-13)14(16)11-5-3-1-2-4-6-11/h7-11H,1-6H2
InChI Key:
GHAUZNRGVDSNRN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)C1CCCCCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.739g/mol
Monoisotopic Mass:
236.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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