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89283-14-7 | 3-Cyclopentene-1,2-dione, 3,4,5-trichloro-
CAS No: 89283-14-7 Catalog No: AG004151 MDL No:
Product Description
Catalog Number:
AG004151
Chemical Name:
3-Cyclopentene-1,2-dione, 3,4,5-trichloro-
CAS Number:
89283-14-7
Molecular Formula:
C5HCl3O2
Molecular Weight:
199.4192
IUPAC Name:
3,4,5-trichlorocyclopent-3-ene-1,2-dione
InChI:
InChI=1S/C5HCl3O2/c6-1-2(7)4(9)5(10)3(1)8/h2H
InChI Key:
WDFBCZFJNWDKQP-UHFFFAOYSA-N
SMILES:
ClC1C(=O)C(=O)C(=C1Cl)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.904g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.411g/mol
Monoisotopic Mass:
197.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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