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89538-49-8 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[3-methyl-1-(2-phenylethyl)butyl]-
CAS No: 89538-49-8 Catalog No: AG0040JW MDL No:
Product Description
Catalog Number:
AG0040JW
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-[3-methyl-1-(2-phenylethyl)butyl]-
CAS Number:
89538-49-8
Molecular Formula:
C17H19Cl2NO2
Molecular Weight:
340.2443
IUPAC Name:
3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C17H19Cl2NO2/c1-11(2)10-13(9-8-12-6-4-3-5-7-12)20-16(21)14(18)15(19)17(20)22/h3-7,11,13H,8-10H2,1-2H3
InChI Key:
CMUGBXCQYDCGDJ-UHFFFAOYSA-N
SMILES:
CC(CC(N1C(=O)C(=C(C1=O)Cl)Cl)CCc1ccccc1)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.244g/mol
Monoisotopic Mass:
339.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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