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27774-65-8 | Cyclopentenone, hexachloro- (6CI,7CI,8CI,9CI)
CAS No: 27774-65-8 Catalog No: AG002UQD MDL No:
Product Description
Catalog Number:
AG002UQD
Chemical Name:
Cyclopentenone, hexachloro- (6CI,7CI,8CI,9CI)
CAS Number:
27774-65-8
Molecular Formula:
C5Cl6O
Molecular Weight:
288.7709
IUPAC Name:
2,3,4,4,5,5-hexachlorocyclopent-2-en-1-one
InChI:
InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12
InChI Key:
QFIIFFRWCNYRLM-UHFFFAOYSA-N
SMILES:
ClC1=C(Cl)C(C(C1=O)(Cl)Cl)(Cl)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.805g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.754g/mol
Monoisotopic Mass:
285.808g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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