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18964-31-3 | 4-Cyclopentene-1,3-dione, 4,5-dichloro-2-(dichloromethylene)-
CAS No: 18964-31-3 Catalog No: AG002DV9 MDL No:
Product Description
Catalog Number:
AG002DV9
Chemical Name:
4-Cyclopentene-1,3-dione, 4,5-dichloro-2-(dichloromethylene)-
CAS Number:
18964-31-3
Molecular Formula:
C6Cl4O2
Molecular Weight:
245.8750
IUPAC Name:
4,5-dichloro-2-(dichloromethylidene)cyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C6Cl4O2/c7-2-3(8)5(12)1(4(2)11)6(9)10
InChI Key:
YABWQIXQVBAMGN-UHFFFAOYSA-N
SMILES:
ClC(=C1C(=O)C(=C(C1=O)Cl)Cl)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.862g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.864g/mol
Monoisotopic Mass:
243.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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