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Home > Fluorides > 129228-92-8
129228-92-8 | 3H-Pyrazol-3-one, 4-(2-fluorobenzoyl)-2,4-dihydro-5-methyl-2-phenyl-
CAS No: 129228-92-8 Catalog No: AG000YZH MDL No:
Product Description
Catalog Number:
AG000YZH
Chemical Name:
3H-Pyrazol-3-one, 4-(2-fluorobenzoyl)-2,4-dihydro-5-methyl-2-phenyl-
CAS Number:
129228-92-8
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
IUPAC Name:
4-(2-fluorobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C17H13FN2O2/c1-11-15(16(21)13-9-5-6-10-14(13)18)17(22)20(19-11)12-7-3-2-4-8-12/h2-10,15H,1H3
InChI Key:
ULLXLIPICOBDGH-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1C(=O)c1ccccc1F)c1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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