5-Fluoropyrimidine-2,4,6-triol - CAS 767-80-6
Catalog: |
BB035697 |
Product Name: |
5-Fluoropyrimidine-2,4,6-triol |
CAS: |
767-80-6 |
Synonyms: |
5-fluoro-6-hydroxy-1H-pyrimidine-2,4-dione; 5-fluoro-6-hydroxy-1H-pyrimidine-2,4-dione |
IUPAC Name: | 5-fluoro-6-hydroxy-1H-pyrimidine-2,4-dione |
Description: | 5-Fluoropyrimidine-2,4,6-triol (CAS# 767-80-6 ) is a useful research chemical. |
Molecular Weight: | 146.08 |
Molecular Formula: | C4H3FN2O3 |
Canonical SMILES: | C1(=C(NC(=O)NC1=O)O)F |
InChI: | InChI=1S/C4H3FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h(H3,6,7,8,9,10) |
InChI Key: | RJCPGIDCCOBOPD-UHFFFAOYSA-N |
Density: | 1.63±0.1 g/cm3 (20 °C 760 Torr) |
LogP: | -0.75770 |
Publication Number | Title | Priority Date |
EP-3287454-A1 | Heterocyclic compound | 20150424 |
US-10131653-B2 | Heterocyclic compound | 20150424 |
US-2018155333-A1 | Heterocyclic Compound | 20150424 |
EP-3287454-B1 | Heterocyclic compound | 20150424 |
WO-2015184281-A2 | Compositions and methods for detecting protein sulfenylation | 20140530 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.01277012 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.01277012 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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