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88562-39-4 | 1,3-Cyclohexanedione, 2-(2,3,6-trichlorobenzoyl)-
CAS No: 88562-39-4 Catalog No: AG004CA3 MDL No:
Product Description
Catalog Number:
AG004CA3
Chemical Name:
1,3-Cyclohexanedione, 2-(2,3,6-trichlorobenzoyl)-
CAS Number:
88562-39-4
Molecular Formula:
C13H9Cl3O3
Molecular Weight:
319.5678
IUPAC Name:
2-(2,3,6-trichlorobenzoyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C13H9Cl3O3/c14-6-4-5-7(15)12(16)10(6)13(19)11-8(17)2-1-3-9(11)18/h4-5,11H,1-3H2
InChI Key:
NXBKIVBUAKIMAU-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1C(=O)c1c(Cl)ccc(c1Cl)Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.562g/mol
Monoisotopic Mass:
317.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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