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Home > Fluorides > 188425-52-7
188425-52-7 | 5-Pyrimidinol, 2-[3-fluoro-4-(phenylmethoxy)phenyl]-
CAS No: 188425-52-7 Catalog No: AG002GWB MDL No:
Product Description
Catalog Number:
AG002GWB
Chemical Name:
5-Pyrimidinol, 2-[3-fluoro-4-(phenylmethoxy)phenyl]-
CAS Number:
188425-52-7
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
IUPAC Name:
2-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-5-ol
InChI:
InChI=1S/C17H13FN2O2/c18-15-8-13(17-19-9-14(21)10-20-17)6-7-16(15)22-11-12-4-2-1-3-5-12/h1-10,21H,11H2
InChI Key:
OCOQDCBBBFPUSU-UHFFFAOYSA-N
SMILES:
Oc1cnc(nc1)c1ccc(c(c1)F)OCc1ccccc1
Properties
Complexity:
331
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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