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89201-31-0 | 2-Butenamide, 2-acetyl-4-(4-chlorophenyl)-4-oxo-N-phenyl-
CAS No: 89201-31-0 Catalog No: AG004575 MDL No:
Product Description
Catalog Number:
AG004575
Chemical Name:
2-Butenamide, 2-acetyl-4-(4-chlorophenyl)-4-oxo-N-phenyl-
CAS Number:
89201-31-0
Molecular Formula:
C18H14ClNO3
Molecular Weight:
327.7617
IUPAC Name:
2-acetyl-4-(4-chlorophenyl)-4-oxo-N-phenylbut-2-enamide
InChI:
InChI=1S/C18H14ClNO3/c1-12(21)16(18(23)20-15-5-3-2-4-6-15)11-17(22)13-7-9-14(19)10-8-13/h2-11H,1H3,(H,20,23)
InChI Key:
RALVVBFPWNQSRE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C=C(C(=O)Nc1ccccc1)C(=O)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.764g/mol
Monoisotopic Mass:
327.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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