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89538-40-9 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1-phenylbutyl)-
CAS No: 89538-40-9 Catalog No: AG00403V MDL No:
Product Description
Catalog Number:
AG00403V
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(1-phenylbutyl)-
CAS Number:
89538-40-9
Molecular Formula:
C14H13Cl2NO2
Molecular Weight:
298.1645
IUPAC Name:
3,4-dichloro-1-(1-phenylbutyl)pyrrole-2,5-dione
InChI:
InChI=1S/C14H13Cl2NO2/c1-2-6-10(9-7-4-3-5-8-9)17-13(18)11(15)12(16)14(17)19/h3-5,7-8,10H,2,6H2,1H3
InChI Key:
XZPTZGHEBANUPJ-UHFFFAOYSA-N
SMILES:
CCCC(N1C(=O)C(=C(C1=O)Cl)Cl)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.163g/mol
Monoisotopic Mass:
297.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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