CAS No.70060-13-8,5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70060-13-8
Name:	5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID
Article Data:	8

Formula:	C₉H₅FO₂S
Molecular Weight:	196.202
Synonyms:	5-Fluorobenzothiophene-2-carboxylicacid;5-Fluoro-1-benzothiophene-2-carboxylic acid;
Density:	1.511 g/cm³
Melting Point:	240-243 °C
Boiling Point:	379.4 °C at 760 mmHg
Flash Point:	183.2 °C
Hazard Symbols:	Xi
PSA:	65.54000
LogP:	2.73860

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Specification

The CAS register number of 5-Fluoro-1-benzothiophene-2-carboxylic acid is 70060-13-8. It also can be called as Benzo[b]thiophene-2-carboxylicacid, 5-fluoro- and the systematic name about this chemical is 5-fluoro-1-benzothiophene-2-carboxylic acid. The molecular formula about this chemical is C₉H₅FO₂S and the molecular weight is 196.2.

Physical properties about 5-Fluoro-1-benzothiophene-2-carboxylic acid are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 5.58; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.25; (7)ACD/KOC (pH 7.4): 3.23; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54Å²; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 49.4 cm³; (14)Molar Volume: 129.7 cm³; (15)Polarizability: 19.58x10^-24cm³; (16)Surface Tension: 61.5 dyne/cm; (17)Enthalpy of Vaporization: 66.18 kJ/mol; (18)Boiling Point: 379.4 °C at 760 mmHg; (19)Vapour Pressure: 1.98E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc1c(sc(c1)C(=O)O)cc2
(2)InChI: InChI=1/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(5)Std. InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYSA-N