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CAS No.: | 32431-72-4 |
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Name: | 2-Thiophenecarboxylic acid, 4-fluoro- |
Molecular Structure: | |
Formula: | C5H3FO2S |
Molecular Weight: | 146.142 |
Synonyms: | 4-Fluorothiophene-2-carboxylicacid;5-Carboxy-3-fluorothiophene; |
Density: | 1.527 g/cm3 |
Boiling Point: | 271.2 °C at 760 mmHg |
Flash Point: | 117.8 °C |
PSA: | 65.54000 |
LogP: | 1.58540 |
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The CAS register number of 2-Thiophenecarboxylicacid, 4-fluoro- is 32431-72-4. It also can be called as 4-Fluoro-2-thiophenecarboxylic acid and the systematic name about this chemical is 4-fluorothiophene-2-carboxylic acid. The molecular formula about this chemical is C5H3FO2S and the molecular weight is 146.1395232. It belongs to the Carboxylicacid.
Physical properties about 2-Thiophenecarboxylicacid, 4-fluoro- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.54Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 31.56 cm3; (14)Molar Volume: 95.6 cm3; (15)Polarizability: 12.51x10-24cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Flash Point: 117.8 °C; (18)Enthalpy of Vaporization: 53.81 kJ/mol; (19)Boiling Point: 271.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00321 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc(F)cs1
(2)InChI: InChI=1/C5H3FO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(3)InChIKey: FRMOGHTYZAENGS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H3FO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(5)Std. InChIKey: FRMOGHTYZAENGS-UHFFFAOYSA-N