5-Chlorothiophene-2-carbonyl chloride CAS NO.42518-98-9

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The 5-Chlorothiophene-2-carbonyl chloride, with CAS registry number 42518-98-9, belongs to the following product category: Acidhalide. It has the systematic name of 5-chlorothiophene-2-carbonyl chloride. Besides this, it is also called 2-thiophenecarbonyl chloride, 5-chloro-. And the chemical formula of this chemical is C₅H₂Cl₂OS.

Physical properties of 5-Chlorothiophene-2-carbonyl chloride: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.27; (6)ACD/BCF (pH 7.4): 70.27; (7)ACD/KOC (pH 5.5): 730.32; (8)ACD/KOC (pH 7.4): 730.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 39.77 cm³; (15)Molar Volume: 117.2 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Enthalpy of Vaporization: 46.04 kJ/mol; (19)Vapour Pressure: 0.0937 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1sc(Cl)cc1
(2)InChI: InChI=1/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
(3)InChIKey: BMPDCQVRKDNUAP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
(5)Std. InChIKey: BMPDCQVRKDNUAP-UHFFFAOYSA-N