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20244-55-7 | 2,5-Cyclohexadien-1-one, 2,4,4,6-tetrachloro-
CAS No: 20244-55-7 Catalog No: AG002899 MDL No:
Product Description
Catalog Number:
AG002899
Chemical Name:
2,5-Cyclohexadien-1-one, 2,4,4,6-tetrachloro-
CAS Number:
20244-55-7
Molecular Formula:
C6H2Cl4O
Molecular Weight:
231.8915
IUPAC Name:
2,4,4,6-tetrachlorocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H2Cl4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChI Key:
PCZOCOUKAYTNJX-UHFFFAOYSA-N
SMILES:
ClC1=CC(Cl)(Cl)C=C(C1=O)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.883g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.881g/mol
Monoisotopic Mass:
229.886g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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