Benzo[b]thiophene-2-aceticacid, 5-chloro-3-methyl- (51527-19-6)

The 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid is an organic compound with the formula C₁₁H₉ClO₂S. The IUPAC name of this chemical is 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid. With the CAS registry number 51527-19-6, it is also named as Benzo(b)thiophene-2-acetic acid, 5-chloro-3-methyl-.

Physical properties about 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.124; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.326; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 65.54 Å²; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 63.314 cm³; (14)Molar Volume: 168.697 cm³; (15)Polarizability: 25.099×10^-24cm³; (16)Surface Tension: 58.31 dyne/cm; (17)Density: 1.427 g/cm³; (18)Flash Point: 209.492 °C; (19)Enthalpy of Vaporization: 71.372 kJ/mol; (20)Boiling Point: 422.784 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(ccc2sc1CC(=O)O)Cl
(2)InChI: InChI=1/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)
(3)InChIKey: QNJIHQOPIPJYLU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)
(5)Std. InChIKey: QNJIHQOPIPJYLU-UHFFFAOYSA-N