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14504-09-7 | 2-Cyclohexene-1,4-dione, 2,3,5,5,6,6-hexachloro-
CAS No: 14504-09-7 Catalog No: AG001KID MDL No:
Product Description
Catalog Number:
AG001KID
Chemical Name:
2-Cyclohexene-1,4-dione, 2,3,5,5,6,6-hexachloro-
CAS Number:
14504-09-7
Molecular Formula:
C6Cl6O2
Molecular Weight:
316.7810
IUPAC Name:
2,3,5,5,6,6-hexachlorocyclohex-2-ene-1,4-dione
InChI:
InChI=1S/C6Cl6O2/c7-1-2(8)4(14)6(11,12)5(9,10)3(1)13
InChI Key:
OGCXHDIKDLDDTC-UHFFFAOYSA-N
SMILES:
ClC1=C(Cl)C(=O)C(C(C1=O)(Cl)Cl)(Cl)Cl
NSC Number:
61921
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.8g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.764g/mol
Monoisotopic Mass:
313.803g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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