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2211-82-7

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Basic Information
CAS No.: 2211-82-7
Name: 1(3H)-Isobenzofuranone, 7-fluoro-
Molecular Structure:
Molecular Structure of 2211-82-7 (1(3H)-Isobenzofuranone, 7-fluoro-)
Formula: C8H5FO2
Molecular Weight: 152.125
Density: 1.379 g/cm3
Boiling Point: 320.3 °C at 760 mmHg
Flash Point: 142.7 °C
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Specification

The CAS registry number of 1(3H)-Isobenzofuranone, 7-fluoro- is 2211-82-7. This chemical's molecular formula is C8H5FO2 and molecular weight is 152.03. What's more, its systematic name is called 7-Fluoro-2-benzofuran-1(3H)-one.

Physical properties about 1(3H)-Isobenzofuranone, 7-fluoro- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 35.54 cm3; (9)Molar Volume: 110.2 cm3; (10)Surface Tension: 44.8 dyne/cm; (11)Density: 1.379 g/cm3; (12)Flash Point: 142.7 °C; (13)Enthalpy of Vaporization: 56.19 kJ/mol; (14)Boiling Point: 320.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000321 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc2c1C(=O)OC2
(2) InChI: InChI=1S/C8H5FO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
(3) InChIKey: JVYFQQBVHWETHD-UHFFFAOYSA-N