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89538-29-4 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,2-diphenylethyl)-
CAS No: 89538-29-4 Catalog No: AG0040JZ MDL No:
Product Description
Catalog Number:
AG0040JZ
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,2-diphenylethyl)-
CAS Number:
89538-29-4
Molecular Formula:
C18H13Cl2NO2
Molecular Weight:
346.2073
IUPAC Name:
3,4-dichloro-1-(1,2-diphenylethyl)pyrrole-2,5-dione
InChI:
InChI=1S/C18H13Cl2NO2/c19-15-16(20)18(23)21(17(15)22)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChI Key:
IOJRDEQWDHTVMR-UHFFFAOYSA-N
SMILES:
O=C1N(C(=O)C(=C1Cl)Cl)C(c1ccccc1)Cc1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.032g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.207g/mol
Monoisotopic Mass:
345.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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