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89538-42-1 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[1-(4-chlorophenyl)ethyl]-
CAS No: 89538-42-1 Catalog No: AG0040JX MDL No:
Product Description
Catalog Number:
AG0040JX
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[1-(4-chlorophenyl)ethyl]-
CAS Number:
89538-42-1
Molecular Formula:
C12H8Cl3NO2
Molecular Weight:
304.5564
IUPAC Name:
3,4-dichloro-1-[1-(4-chlorophenyl)ethyl]pyrrole-2,5-dione
InChI:
InChI=1S/C12H8Cl3NO2/c1-6(7-2-4-8(13)5-3-7)16-11(17)9(14)10(15)12(16)18/h2-6H,1H3
InChI Key:
IEOSUJKIEXJVFY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(N1C(=O)C(=C(C1=O)Cl)Cl)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.962g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.551g/mol
Monoisotopic Mass:
302.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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