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102580-69-8 | Ethanone, 1-(4-chlorophenyl)-2-cycloheptyl-
CAS No: 102580-69-8 Catalog No: AG0007U3 MDL No:
Product Description
Catalog Number:
AG0007U3
Chemical Name:
Ethanone, 1-(4-chlorophenyl)-2-cycloheptyl-
CAS Number:
102580-69-8
Molecular Formula:
C15H19ClO
Molecular Weight:
250.7638
IUPAC Name:
1-(4-chlorophenyl)-2-cycloheptylethanone
InChI:
InChI=1S/C15H19ClO/c16-14-9-7-13(8-10-14)15(17)11-12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2
InChI Key:
NNGFAYPMOBVNOA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CC1CCCCCC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.766g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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