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88569-88-4 | 1,3-Cyclohexanedione, 2-(2,6-dichlorobenzoyl)-5,5-dimethyl-
CAS No: 88569-88-4 Catalog No: AG004DMH MDL No:
Product Description
Catalog Number:
AG004DMH
Chemical Name:
1,3-Cyclohexanedione, 2-(2,6-dichlorobenzoyl)-5,5-dimethyl-
CAS Number:
88569-88-4
Molecular Formula:
C15H14Cl2O3
Molecular Weight:
313.1759
IUPAC Name:
2-(2,6-dichlorobenzoyl)-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C15H14Cl2O3/c1-15(2)6-10(18)13(11(19)7-15)14(20)12-8(16)4-3-5-9(12)17/h3-5,13H,6-7H2,1-2H3
InChI Key:
OMZJJUDVFNXYEX-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)C1C(=O)CC(CC1=O)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.174g/mol
Monoisotopic Mass:
312.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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