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88176-38-9 | 1,3-Cyclohexanedione, 5-(3,5-dichloro-2,4,6-trimethylphenyl)-
CAS No: 88176-38-9 Catalog No: AG004CMV MDL No:
Product Description
Catalog Number:
AG004CMV
Chemical Name:
1,3-Cyclohexanedione, 5-(3,5-dichloro-2,4,6-trimethylphenyl)-
CAS Number:
88176-38-9
Molecular Formula:
C15H16Cl2O2
Molecular Weight:
299.1923
IUPAC Name:
5-(3,5-dichloro-2,4,6-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H16Cl2O2/c1-7-13(8(2)15(17)9(3)14(7)16)10-4-11(18)6-12(19)5-10/h10H,4-6H2,1-3H3
InChI Key:
ZNAKXZJTSKJGDX-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)C1)c1c(C)c(Cl)c(c(c1C)Cl)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.191g/mol
Monoisotopic Mass:
298.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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