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143163-70-6

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Basic Information
CAS No.: 143163-70-6
Name: 2-(BROMOMETHYL)-5-FLUOROBENZOTHIAZOLE
Article Data: 3
Molecular Structure:
Molecular Structure of 143163-70-6 (2-(BROMOMETHYL)-5-FLUOROBENZOTHIAZOLE)
Formula: C8H5BrFNS
Molecular Weight: 246.10
Synonyms: 2-(Bromomethyl)-5-fluoro-1,3-benzothiazole;2-(Bromomethyl)-5-fluorobenzothiazole;
Density: 1.758 g/cm3
Boiling Point: 292.9 °C at 760 mmHg
Flash Point: 130.9 °C
PSA: 41.13000
LogP: 3.33030
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Specification

This chemical is called Benzothiazole, 2-(bromomethyl)-5-fluoro-, and its systematic name is 2-(bromomethyl)-5-fluoro-1,3-benzothiazole. With the molecular formula of C8H5BrFNS, its molecular weight is 246.10. The CAS registry number of this chemical is 143163-70-6.

Other characteristics of the Benzothiazole, 2-(bromomethyl)-5-fluoro- can be summarised as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 147.16; (6)ACD/BCF (pH 7.4): 147.16; (7)ACD/KOC (pH 5.5): 1239.65; (8)ACD/KOC (pH 7.4): 1239.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 53.21 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 21.09×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.758 g/cm3; (19)Flash Point: 130.9 °C; (20)Enthalpy of Vaporization: 51.11 kJ/mol; (21)Boiling Point: 292.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00312 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc2nc(CBr)sc2cc1
2.InChI: InChI=1/C8H5BrFNS/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2
3.InChIKey: TZBLTCWLVUAGLQ-UHFFFAOYAF