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3-Fluoroisatoic anhydride

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Name

3-Fluoroisatoic anhydride

EINECS N/A
CAS No. 174463-53-7 Density 1.503 g/cm3
PSA 63.07000 LogP 0.62040
Solubility N/A Melting Point N/A
Formula C8H4FNO3 Boiling Point N/A
Molecular Weight 181.123 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 174463-53-7 (3-FLUOROISATOIC ANHYDRIDE) Hazard Symbols N/A
Synonyms

8-fluoro-2H-3,1-benzoxazine-2,4(1H)-dione;

Article Data 6

3-Fluoroisatoic anhydride 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

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