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89538-54-5 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,2-dimethyl-3-phenylpropyl)-
CAS No: 89538-54-5 Catalog No: AG0040JU MDL No:
Product Description
Catalog Number:
AG0040JU
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,2-dimethyl-3-phenylpropyl)-
CAS Number:
89538-54-5
Molecular Formula:
C15H15Cl2NO2
Molecular Weight:
312.1911
IUPAC Name:
3,4-dichloro-1-(3-methyl-4-phenylbutan-2-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C15H15Cl2NO2/c1-9(8-11-6-4-3-5-7-11)10(2)18-14(19)12(16)13(17)15(18)20/h3-7,9-10H,8H2,1-2H3
InChI Key:
HFIRXNUNAUFMBT-UHFFFAOYSA-N
SMILES:
CC(C(N1C(=O)C(=C(C1=O)Cl)Cl)C)Cc1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.19g/mol
Monoisotopic Mass:
311.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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