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CAS No.: | 2193-47-7 |
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Name: | 6-FLUOROCYTOSINE |
Molecular Structure: | |
Formula: | C4H4FN3O |
Molecular Weight: | 129.094 |
Synonyms: | 4-Amino-6-fluoro-2(1H)-pyrimidinone; |
Density: | 1.73 g/cm3 |
PSA: | 71.77000 |
LogP: | 0.07240 |
The 2(1H)-Pyrimidinone,4-amino-6-fluoro-, with the CAS registry number of 2193-47-7, is also known as 4-Amino-6-fluoro-2(1H)-pyrimidinone. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H4FN3O and molecular weight is 129.092463. What's more, its IUPAC name is 4-Amino-6-fluoro-1H-pyrimidin-2-one.
Physical properties about the 2(1H)-Pyrimidinone,4-amino-6-fluoro- are: (1)ACD/LogP: -1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.55; (6)ACD/KOC (pH 7.4): 2.49; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 27.17 cm3; (13)Molar Volume: 74.5 cm3; (14)Surface Tension: 58.8 dyne/cm; (15)Density: 1.73 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: F\C1=C\C(=N/C(=O)N1)\N
(2) InChI: InChI=1/C4H4FN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
(3) InChIKey: KFYFUDYZSBIDHZ-UHFFFAOYAZ