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| CAS No.: | 174463-53-7 |
|---|---|
| Name: | 3-FLUOROISATOIC ANHYDRIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H4FNO3 |
| Molecular Weight: | 181.123 |
| Synonyms: | 8-fluoro-2H-3,1-benzoxazine-2,4(1H)-dione; |
| Density: | 1.503 g/cm3 |
| PSA: | 63.07000 |
| LogP: | 0.62040 |
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Specification
The 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-fluoro-, with the CAS registry number 174463-53-7, has the systematic name of 8-fluoro-2H-3,1-benzoxazine-2,4(1H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H4FNO3.
The characteristics of 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-fluoro- are as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 71; (8)ACD/KOC (pH 7.4): 70; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 39.024 cm3; (15)Molar Volume: 120.544 cm3; (16)Polarizability: 15.47×10-24cm3; (17)Surface Tension: 48.881 dyne/cm; (18)Density: 1.503 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2OC(=O)Nc1c2cccc1F
(2)InChI: InChI=1/C8H4FNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
(3)InChIKey: IERJBARKMJORGI-UHFFFAOYAR