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126053-47-2 | 2-Propen-1-one, 3-(dimethylamino)-2-(4-fluorophenyl)-1-phenyl-
CAS No: 126053-47-2 Catalog No: AG000QU1 MDL No:
Product Description
Catalog Number:
AG000QU1
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-2-(4-fluorophenyl)-1-phenyl-
CAS Number:
126053-47-2
Molecular Formula:
C17H16FNO
Molecular Weight:
269.3134
IUPAC Name:
3-(dimethylamino)-2-(4-fluorophenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H16FNO/c1-19(2)12-16(13-8-10-15(18)11-9-13)17(20)14-6-4-3-5-7-14/h3-12H,1-2H3
InChI Key:
ZXLVIQUJXBNQPW-UHFFFAOYSA-N
SMILES:
CN(C=C(C(=O)c1ccccc1)c1ccc(cc1)F)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.319g/mol
Monoisotopic Mass:
269.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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