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88681-19-0 | 2-Propen-1-one, 3-(4-methylphenyl)-1-[4-(phenylamino)phenyl]-
CAS No: 88681-19-0 Catalog No: AG0047WM MDL No:
Product Description
Catalog Number:
AG0047WM
Chemical Name:
2-Propen-1-one, 3-(4-methylphenyl)-1-[4-(phenylamino)phenyl]-
CAS Number:
88681-19-0
Molecular Formula:
C22H19NO
Molecular Weight:
313.3924
IUPAC Name:
1-(4-anilinophenyl)-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H19NO/c1-17-7-9-18(10-8-17)11-16-22(24)19-12-14-21(15-13-19)23-20-5-3-2-4-6-20/h2-16,23H,1H3
InChI Key:
RBKDISOEEGDDGF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=CC(=O)c1ccc(cc1)Nc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.4g/mol
Monoisotopic Mass:
313.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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