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89069-62-5 | 4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-phenyl-
CAS No: 89069-62-5 Catalog No: AG004108 MDL No:
Product Description
Catalog Number:
AG004108
Chemical Name:
4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-phenyl-
CAS Number:
89069-62-5
Molecular Formula:
C16H11FN2O
Molecular Weight:
266.2697
IUPAC Name:
3-(4-fluorophenyl)-2-phenylpyrimidin-4-one
InChI:
InChI=1S/C16H11FN2O/c17-13-6-8-14(9-7-13)19-15(20)10-11-18-16(19)12-4-2-1-3-5-12/h1-11H
InChI Key:
KXNDWJUUKHVDJA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(=O)ccnc1c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.275g/mol
Monoisotopic Mass:
266.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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