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1629-07-8

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Basic Information
CAS No.: 1629-07-8
Name: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE
Article Data: 27
Molecular Structure:
Molecular Structure of 1629-07-8 (2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE)
Formula: C13H8FNS
Molecular Weight: 229.278
Synonyms: Benzothiazole,2-(m-fluorophenyl)- (7CI,8CI);NSC 51876;
Density: 1.304 g/cm3
Melting Point: 71-73 °C
Boiling Point: 361.3 °C at 760 mmHg
Flash Point: 172.3 °C
PSA: 41.13000
LogP: 4.10240
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Specification

The Benzothiazole,2-(3-fluorophenyl)- is an organic compound with the formula C13H8FNS. The IUPAC name of this chemical is 2-(3-Fluorophenyl)-1,3-benzothiazole. With the CAS registry number 1629-07-8, it is also named as 2-(3-Fluoro-phenyl)-benzothiazole. Besides, its molecular weight is 229.273.

Physical properties about Benzothiazole,2-(3-fluorophenyl)- are: (1)ACD/LogP: 4.51; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 41.13 Å2; (5)Index of Refraction: 1.663; (6)Molar Refractivity: 65.15 cm3; (7)Molar Volume: 175.7 cm3; (8)Polarizability: 25.83×10-24 cm3; (9)Surface Tension: 50.6 dyne/cm; (10)Density: 1.304 g/cm3; (11)Flash Point: 172.3 °C; (12)Enthalpy of Vaporization: 58.33 kJ/mol; (13)Boiling Point: 361.3 °C at 760 mmHg; (14)Vapour Pressure: 4.34E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H8FNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H 
(2)InChIKey: ZAQTYFFFIZOULO-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C13H8FNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
(4)Std. InChIKey: ZAQTYFFFIZOULO-UHFFFAOYSA-N