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1628-19-9 | 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-
CAS No: 1628-19-9 Catalog No: AG001TFY MDL No:
Product Description
Catalog Number:
AG001TFY
Chemical Name:
2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-
CAS Number:
1628-19-9
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
IUPAC Name:
3-(4-chlorophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H8ClNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14)
InChI Key:
KYCZWRCDGYAFHA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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