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88175-71-7 | 1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-trichlorophenyl)-
CAS No: 88175-71-7 Catalog No: AG004CIP MDL No:
Product Description
Catalog Number:
AG004CIP
Chemical Name:
1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-trichlorophenyl)-
CAS Number:
88175-71-7
Molecular Formula:
C15H13Cl3O3
Molecular Weight:
347.6209
IUPAC Name:
2-propanoyl-5-(2,4,6-trichlorophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H13Cl3O3/c1-2-11(19)15-12(20)3-7(4-13(15)21)14-9(17)5-8(16)6-10(14)18/h5-7,15H,2-4H2,1H3
InChI Key:
RWNOMNOVUCWFRE-UHFFFAOYSA-N
SMILES:
CCC(=O)C1C(=O)CC(CC1=O)c1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.993g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.616g/mol
Monoisotopic Mass:
345.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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