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2593-51-3 | 2,5-Pyrrolidinedione, 1-(3-chlorophenyl)-3-methylene-
CAS No: 2593-51-3 Catalog No: AG002R46 MDL No:MFCD29912275
Product Description
Catalog Number:
AG002R46
Chemical Name:
2,5-Pyrrolidinedione, 1-(3-chlorophenyl)-3-methylene-
CAS Number:
2593-51-3
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD29912275
IUPAC Name:
1-(3-chlorophenyl)-3-methylidenepyrrolidine-2,5-dione
InChI:
InChI=1S/C11H8ClNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-4,6H,1,5H2
InChI Key:
RBZUQLXAEPRQHU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1C(=O)CC(=C)C1=O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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