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89538-24-9 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,3-dimethyl-3-phenylbutyl)-
CAS No: 89538-24-9 Catalog No: AG0040K0 MDL No:
Product Description
Catalog Number:
AG0040K0
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1,3-dimethyl-3-phenylbutyl)-
CAS Number:
89538-24-9
Molecular Formula:
C16H17Cl2NO2
Molecular Weight:
326.2177
IUPAC Name:
3,4-dichloro-1-(4-methyl-4-phenylpentan-2-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C16H17Cl2NO2/c1-10(19-14(20)12(17)13(18)15(19)21)9-16(2,3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChI Key:
JIZDFKJVGSCVHM-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)C(=C(C1=O)Cl)Cl)CC(c1ccccc1)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.217g/mol
Monoisotopic Mass:
325.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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