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| CAS No.: | 78755-94-9 |
|---|---|
| Name: | 6-Fluoroisatoic anhydride |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C8H4FNO3 |
| Molecular Weight: | 181.123 |
| Synonyms: | 5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione;5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione; |
| Density: | 1.502 g/cm3 |
| Melting Point: | 230℃ |
| PSA: | 63.07000 |
| LogP: | 0.62040 |
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Specification
The 6-Fluoroisatoic anhydride is an organic compound with the formula C8H4FNO3. The systematic name of this chemical is 5-fluoro-2H-3,1-benzoxazine-2,4(1H)-dione. With the CAS registry number 78755-94-9, it is also named as 2H-3,1-benzoxazine-2,4(1H)-dione, 5-fluoro-.
Physical properties about 6-Fluoroisatoic anhydride are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.95; (4)ACD/BCF (pH 5.5): 3.14; (5)ACD/BCF (pH 7.4): 3.13; (6)ACD/KOC (pH 5.5): 78.93; (7)ACD/KOC (pH 7.4): 78.59; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 39.02 cm3; (13)Molar Volume: 120.5 cm3; (14)Polarizability: 15.47×10-24cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.502 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2C(=O)OC(=O)N1
(2)InChI: InChI=1/C8H4FNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
(3)InChIKey: VAAIGNBVENPUEI-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H4FNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
(5)Std. InChIKey: VAAIGNBVENPUEI-UHFFFAOYSA-N