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CAS No.: | 112706-72-6 |
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Name: | 1-METHYL-6-FLUOROTHYMINE |
Molecular Structure: | |
Formula: | C6H7FN2O2 |
Molecular Weight: | 158.132 |
Synonyms: | 6-Fluoro-1,5-dimethyl-2,4(1H,3H)-pyrimidinedione; |
Density: | 1.35 g/cm3 |
PSA: | 54.86000 |
LogP: | -0.47890 |
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The 2,4(1H,3H)-Pyrimidinedione,6-fluoro-1,5-dimethyl-, with the CAS registry number 112706-72-6, is also known as 6-Fluoro-1,5-dimethyl-2,4(1H,3H)-pyrimidinedione. This chemical's molecular formula is C6H7FN2O2 and molecular weight is 158.1304. Its systematic name is called 6-fluoro-1,5-dimethylpyrimidine-2,4(1H,3H)-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,6-fluoro-1,5-dimethyl-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 10.14; (4)ACD/KOC (pH 7.4): 7.55; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 35.11 cm3; (9)Molar Volume: 116.3 cm3; (10)Surface Tension: 41.2 dyne/cm; (11)Density: 1.35 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)N(C)C(/F)=C1/C
(2)InChI: InChI=1/C6H7FN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)
(3)InChIKey: RYMZDTGSHINPJH-UHFFFAOYAA