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23622-24-4

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Basic Information
CAS No.: 23622-24-4
Name: 5-Chloro-1-benzothiophene-2-carbonitrile
Molecular Structure:
Molecular Structure of 23622-24-4 (5-Chloro-1-benzothiophene-2-carbonitrile)
Formula: C9H4ClNS
Molecular Weight: 193.66
Synonyms: 5-Chlorobenzothiophene-2-carbonitrile;
Density: 1.42 g/cm3
Boiling Point: 347.9 °C at 760 mmHg
Flash Point: 164.2 °C
PSA: 52.03000
LogP: 3.42638
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Specification

The CAS registry number of 5-Chloro-1-benzothiophene-2-carbonitrile is 23622-24-4. The IUPAC name is 5-Chlorobenzothiophene-2-carbonitrile. In addition, the formula is C9H4ClNS and the molecular weight is 193.66.

Physical properties about this chemical are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 52.03 Å2; (9)Index of Refraction: 1.69; (10)Molar Refractivity: 51.84 cm3; (11)Molar Volume: 135.5 cm3; (12)Polarizability: 20.55 ×10-24cm3; (13)Surface Tension: 61.7 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 164.2 °C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.9 °C at 760 mmHg; (18)Vapour Pressure: 5.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)cc(s2)C#N
(2)InChI: InChI=1/C9H4ClNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
(3)InChIKey: LEIZUMNQYDLPMJ-UHFFFAOYAI