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CAS No.: | 53935-71-0 |
---|---|
Name: | 2-Chlorothiophene-3-carboxylic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H3ClO2S |
Molecular Weight: | 162.597 |
Synonyms: | 2-Chloro-3-thiophenecarboxylicacid; |
EINECS: | 200-589-5 |
Density: | 1.572 g/cm3 |
Melting Point: | 163 °C |
Boiling Point: | 280.9 °C at 760 mmHg |
Flash Point: | 123.7 °C |
PSA: | 65.54000 |
LogP: | 2.09970 |
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The 3-Thiophenecarboxylicacid, 2-chloro-, with the CAS registry number 53935-71-0, is also known as 2-Chloro-3-thiophenecarboxylicacid. This chemical's molecular formula is C5H3ClO2S and molecular weight is 162.5941. What's more, its systematic name is 2-Chlorothiophene-3-carboxylic acid.
Physical properties about 3-Thiophenecarboxylicacid, 2-chloro- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.85; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.54 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 36.46 cm3; (13)Molar Volume: 103.3 cm3; (14)Polarizability: 14.45×10-24 cm3; (15)Surface Tension: 60.5 dyne/cm; (16)Density: 1.572 g/cm3; (17)Flash Point: 123.7 °C; (18)Enthalpy of Vaporization: 54.89 kJ/mol; (19)Boiling Point: 280.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00175 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccsc1Cl
(2) InChI: InChI=1/C5H3ClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(3) InChIKey: DZVPSOCOJRCNIA-UHFFFAOYAA