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92751-36-5 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(3-phenylpropyl)-
CAS No: 92751-36-5 Catalog No: AG006156 MDL No:
Product Description
Catalog Number:
AG006156
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(3-phenylpropyl)-
CAS Number:
92751-36-5
Molecular Formula:
C13H11Cl2NO2
Molecular Weight:
284.1379
IUPAC Name:
3,4-dichloro-1-(3-phenylpropyl)pyrrole-2,5-dione
InChI:
InChI=1S/C13H11Cl2NO2/c14-10-11(15)13(18)16(12(10)17)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
OZYHPZMQTNHZNW-UHFFFAOYSA-N
SMILES:
O=C1N(CCCc2ccccc2)C(=O)C(=C1Cl)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.136g/mol
Monoisotopic Mass:
283.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds. | Bioorganic & medicinal chemistry 20110501 |
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