Benzo[b]thiophene-2-carboxaldehyde, 3-chloro- (14006-54-3)

The Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-, with the cas registry number 14006-54-3, has the IUPAC name of 3-chloro-1-benzothiophene-2-carbaldehyde.

The physical properties of this chemical are as follows: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.31; (7)Index of Refraction: 1.722; (8)Molar Refractivity: 54.12 cm³; (9)Molar Volume: 136.6 cm³; (10)Polarizability: 21.45 ×10^-24 cm³; (11)Surface Tension: 56.8 dyne/cm; (12)Density: 1.439 g/cm³; (13)Flash Point: 154 °C; (14)Enthalpy of Vaporization: 57.37 kJ/mol; (15)Boiling Point: 331.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00016 mmHg at 25°C; (17)Exact Mass: 195.974963; (18)MonoIsotopic Mass: 195.974963; (19)Topological Polar Surface Area: 45.3; (20)Heavy Atom Count: 12; (21)Formal Charge: 0; (22)Complexity: 185.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)C=O)Cl
(2)InChI: InChI=1S/C9H5ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
(3)InChIKey: UFTPKLPCVLXBQY-UHFFFAOYSA-N