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Home > Fluorides > 1240596-22-8
1240596-22-8 | 4(3H)-Pyrimidinone, 5-fluoro-2-(2-pyridinyl)-
CAS No: 1240596-22-8 Catalog No: AG000LH6 MDL No:MFCD16987871
Product Description
Catalog Number:
AG000LH6
Chemical Name:
4(3H)-Pyrimidinone, 5-fluoro-2-(2-pyridinyl)-
CAS Number:
1240596-22-8
Molecular Formula:
C9H6FN3O
Molecular Weight:
191.1618
MDL Number:
MFCD16987871
IUPAC Name:
5-fluoro-2-pyridin-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H6FN3O/c10-6-5-12-8(13-9(6)14)7-3-1-2-4-11-7/h1-5H,(H,12,13,14)
InChI Key:
BJOCYMYWLSJILM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(ncc1F)c1ccccn1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.165g/mol
Monoisotopic Mass:
191.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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