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114039-92-8 | 2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-(2-naphthalenyl)-
CAS No: 114039-92-8 Catalog No: AG000ACA MDL No:
Product Description
Catalog Number:
AG000ACA
Chemical Name:
2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-(2-naphthalenyl)-
CAS Number:
114039-92-8
Molecular Formula:
C22H17ClO
Molecular Weight:
332.8228
IUPAC Name:
5-(4-chlorophenyl)-3-naphthalen-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C22H17ClO/c23-21-9-7-16(8-10-21)19-12-20(14-22(24)13-19)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,14,19H,12-13H2
InChI Key:
LOBAMZKQCYMAFV-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(C1)c1ccc(cc1)Cl)c1ccc2c(c1)cccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.827g/mol
Monoisotopic Mass:
332.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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