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27463-38-3 | 5-(4-Chlorophenyl)cyclohexane-1,3-dione
CAS No: 27463-38-3 Catalog No: AG003M5N MDL No:MFCD00052452
Product Description
Catalog Number:
AG003M5N
Chemical Name:
5-(4-Chlorophenyl)cyclohexane-1,3-dione
CAS Number:
27463-38-3
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
MDL Number:
MFCD00052452
IUPAC Name:
5-(4-chlorophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChI Key:
MAFYKXZPGMHTIA-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)C1)c1ccc(cc1)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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