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Home > Fluorides > 158715-14-1
158715-14-1 | 4(3H)-Pyrimidinone, 2-phenyl-6-(trifluoromethyl)-
CAS No: 158715-14-1 Catalog No: AG001QRY MDL No:MFCD00205238
Product Description
Catalog Number:
AG001QRY
Chemical Name:
4(3H)-Pyrimidinone, 2-phenyl-6-(trifluoromethyl)-
CAS Number:
158715-14-1
Molecular Formula:
C11H7F3N2O
Molecular Weight:
240.1813
MDL Number:
MFCD00205238
IUPAC Name:
2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(17)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChI Key:
SMUCGWAIODOUCG-UHFFFAOYSA-N
SMILES:
O=c1cc(nc([nH]1)c1ccccc1)C(F)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.185g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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