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88681-21-4 | 2-Propen-1-one, 3-(4-chlorophenyl)-1-[4-(phenylamino)phenyl]-
CAS No: 88681-21-4 Catalog No: AG00479H MDL No:
Product Description
Catalog Number:
AG00479H
Chemical Name:
2-Propen-1-one, 3-(4-chlorophenyl)-1-[4-(phenylamino)phenyl]-
CAS Number:
88681-21-4
Molecular Formula:
C21H16ClNO
Molecular Weight:
333.8108
IUPAC Name:
1-(4-anilinophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H16ClNO/c22-18-11-6-16(7-12-18)8-15-21(24)17-9-13-20(14-10-17)23-19-4-2-1-3-5-19/h1-15,23H
InChI Key:
OTYMBEUTMYYVGC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=CC(=O)c1ccc(cc1)Nc1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.815g/mol
Monoisotopic Mass:
333.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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