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| CAS No.: | 2022-78-8 |
|---|---|
| Name: | 5-FLUORO-2-HYDROXYPYRIMIDINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C4H3FN2O |
| Molecular Weight: | 114.0778 |
| Synonyms: | 5-Fluoropyrimidin-2-ol; |
| Density: | 1.46g/cm3 |
| Melting Point: | 170-174ºC |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 46.01000 |
| LogP: | 0.32130 |
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Specification
The 2(1H)-Pyrimidinone,5-fluoro-, with the CAS registry number 2022-78-8, is also known as 5-Fluoropyrimidin-2-ol. This chemical's molecular formula is C4H3FN2O and molecular weight is 114.0778. What's more, its IUPAC name is called 5-Fluoro-1H-pyrimidin-2-one.
Physical properties about 2(1H)-Pyrimidinone,5-fluoro- are: (1)ACD/LogP: -1.69; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.86; (8)ACD/KOC (pH 7.4): 2.82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 25.25 cm3; (15)Molar Volume: 77.6 cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.46 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: FC=1\C=N/C(=O)NC=1
(2) InChI: InChI=1/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
(3) InChIKey: HPABFFGQPLJKBP-UHFFFAOYAV