Benzo[b]thiophene-2-carboxylicacid, 3-chloro- (21211-22-3)

The 3-Chlorobenzo[b]thiophene-2-carboxylic acid with its CAS register number is 21211-22-3. It also can be called as Benzo[b]thiophene-2-carboxylicacid, 3-chloro- and the IUPAC name about this chemical is 3-chloro-1-benzothiophene-2-carboxylic acid. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts, Benzothiophenes, BenzothiophenesHeterocyclic Building Blocks, Building Blocks, Halogenated Heterocycles, Heterocyclic Building Blocks and so on.

Physical properties about 3-Chlorobenzo[b]thiophene-2-carboxylic acid are: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.06; (4)ACD/BCF (pH 5.5): 1.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.96; (7)ACD/KOC (pH 7.4): 3.29; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54Ų; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 54.3 cm³; (14)Molar Volume: 137.5 cm³; (15)Polarizability: 21.52x10^-24cm³; (16)Surface Tension: 66.2 dyne/cm; (17)Enthalpy of Vaporization: 68.05 kJ/mol; (18)Vapour Pressure: 5.94E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing. 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: Clc1c2ccccc2sc1C(=O)O
(2)InChI: InChI=1/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: HJTMIYKPPPYDRJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
(5)Std. InChIKey: HJTMIYKPPPYDRJ-UHFFFAOYSA-N