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123280-65-9 | 1,3-Cyclohexanedione, 4,4-dichloro-
CAS No: 123280-65-9 Catalog No: AG000K9C MDL No:
Product Description
Catalog Number:
AG000K9C
Chemical Name:
1,3-Cyclohexanedione, 4,4-dichloro-
CAS Number:
123280-65-9
Molecular Formula:
C6H6Cl2O2
Molecular Weight:
181.0166
IUPAC Name:
4,4-dichlorocyclohexane-1,3-dione
InChI:
InChI=1S/C6H6Cl2O2/c7-6(8)2-1-4(9)3-5(6)10/h1-3H2
InChI Key:
JJHPLBSFIUOWHP-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)C1)(Cl)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.974g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.012g/mol
Monoisotopic Mass:
179.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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