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24963-41-5 | 4-Cyclopentene-1,3-dione, 2,2,4-trichloro-5-hydroxy-
CAS No: 24963-41-5 Catalog No: AG002Q03 MDL No:
Product Description
Catalog Number:
AG002Q03
Chemical Name:
4-Cyclopentene-1,3-dione, 2,2,4-trichloro-5-hydroxy-
CAS Number:
24963-41-5
Molecular Formula:
C5HCl3O3
Molecular Weight:
215.4186
IUPAC Name:
2,2,4-trichloro-5-hydroxycyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C5HCl3O3/c6-1-2(9)4(11)5(7,8)3(1)10/h9H
InChI Key:
NJZAHHDOHOHADT-UHFFFAOYSA-N
SMILES:
OC1=C(Cl)C(=O)C(C1=O)(Cl)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.899g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.41g/mol
Monoisotopic Mass:
213.899g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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