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89538-32-9 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[2-(2-chlorophenyl)propyl]-
CAS No: 89538-32-9 Catalog No: AG0040JY MDL No:
Product Description
Catalog Number:
AG0040JY
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[2-(2-chlorophenyl)propyl]-
CAS Number:
89538-32-9
Molecular Formula:
C13H10Cl3NO2
Molecular Weight:
318.5830
IUPAC Name:
3,4-dichloro-1-[2-(2-chlorophenyl)propyl]pyrrole-2,5-dione
InChI:
InChI=1S/C13H10Cl3NO2/c1-7(8-4-2-3-5-9(8)14)6-17-12(18)10(15)11(16)13(17)19/h2-5,7H,6H2,1H3
InChI Key:
MJIFGWLRLPJAHE-UHFFFAOYSA-N
SMILES:
O=C1N(CC(c2ccccc2Cl)C)C(=O)C(=C1Cl)Cl
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.978g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.578g/mol
Monoisotopic Mass:
316.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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