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821773-11-9 | 3-Pyrazolidinone, 1-[3-(2,4-dichlorophenyl)-1-oxo-2-propenyl]-5-phenyl-
CAS No: 821773-11-9 Catalog No: AG0051G1 MDL No:
Product Description
Catalog Number:
AG0051G1
Chemical Name:
3-Pyrazolidinone, 1-[3-(2,4-dichlorophenyl)-1-oxo-2-propenyl]-5-phenyl-
CAS Number:
821773-11-9
Molecular Formula:
C18H14Cl2N2O2
Molecular Weight:
361.2220
IUPAC Name:
1-[3-(2,4-dichlorophenyl)prop-2-enoyl]-5-phenylpyrazolidin-3-one
InChI:
InChI=1S/C18H14Cl2N2O2/c19-14-8-6-12(15(20)10-14)7-9-18(24)22-16(11-17(23)21-22)13-4-2-1-3-5-13/h1-10,16H,11H2,(H,21,23)
InChI Key:
SSOXRKQISNOSHS-UHFFFAOYSA-N
SMILES:
O=C1NN(C(C1)c1ccccc1)C(=O)C=Cc1ccc(cc1Cl)Cl
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.222g/mol
Monoisotopic Mass:
360.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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