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89560-35-0 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[2-(2,4-dichlorophenyl)propyl]-
CAS No: 89560-35-0 Catalog No: AG003YCA MDL No:
Product Description
Catalog Number:
AG003YCA
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[2-(2,4-dichlorophenyl)propyl]-
CAS Number:
89560-35-0
Molecular Formula:
C13H9Cl4NO2
Molecular Weight:
353.0281
IUPAC Name:
3,4-dichloro-1-[2-(2,4-dichlorophenyl)propyl]pyrrole-2,5-dione
InChI:
InChI=1S/C13H9Cl4NO2/c1-6(8-3-2-7(14)4-9(8)15)5-18-12(19)10(16)11(17)13(18)20/h2-4,6H,5H2,1H3
InChI Key:
IFDUIMFOCDQFRC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(CN1C(=O)C(=C(C1=O)Cl)Cl)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.936g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.02g/mol
Monoisotopic Mass:
350.939g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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