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89197-62-6

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Basic Information
CAS No.: 89197-62-6
Name: 5-FLUORO-1-BENZOFURAN-2-CARBOXYLIC ACID
Article Data: 8
Molecular Structure:
Molecular Structure of 89197-62-6 (5-FLUORO-1-BENZOFURAN-2-CARBOXYLIC ACID)
Formula: C9H5FO3
Molecular Weight: 180.1326
Synonyms: 5-Fluorobenzofuran-2-carboxylicacid;5-fluoro-1-benzofuran-2-carboxylic acid;2-benzofurancarboxylic acid, 5-fluoro-;
Density: 1.463 g/cm3
Boiling Point: 317.012 °C at 760 mmHg
Flash Point: 145.524 °C
PSA: 50.44000
LogP: 2.27010
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Specification

The 2-Benzofurancarboxylicacid, 5-fluoro-, with the CAS registry number 89197-62-6, has the systematic name of 5-fluoro-1-benzofuran-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C9H5FO3.

The physical properties of 2-Benzofurancarboxylicacid, 5-fluoro- are as following: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.44 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 43.319 cm3; (15)Molar Volume: 123.083 cm3; (16)Polarizability: 17.173×10-24cm3; (17)Surface Tension: 54.444 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 145.524 °C; (20)Enthalpy of Vaporization: 58.952 kJ/mol; (21)Boiling Point: 317.012 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cc(F)ccc2o1
(2)InChI: InChI=1/C9H5FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: HITUZQPFDWNUHA-UHFFFAOYAD