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947691-81-8

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Basic Information
CAS No.: 947691-81-8
Name: 6-Bromobenzo[d]isothiazole-3-carboxamide
Article Data: 3
Molecular Structure:
Molecular Structure of 947691-81-8 (6-Bromobenzo[d]isothiazole-3-carboxamide)
Formula: C8H5BrN2OS
Molecular Weight: 257.111
Synonyms: 6-Bromobenzo[d]isothiazole-3-carboxamide;
Density: 1.821
Boiling Point: 368.8 °C at 760 mmHg
Flash Point: 176.9 °C
PSA: 84.22000
LogP: 2.85800
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Specification

The 6-Bromobenzo[d]isothiazole-3-carboxamide ,its cas register number is 947691-81-8. The systematic name about this chemicals is 1,2-Benzisothiazole-3-carboxamide, 6-bromo- , and we can call it other name like  6-Bromo-1,2-benzisothiazole-3-carboxamide .Following are the physical and chemical properties about it: (1)#H bond acceptors: 3 ;(2)#H bond donors: 2 ;(3)#Freely Rotating Bonds: 1 ;(4)Index of Refraction: 1.744 ;(5)Molar Refractivity: 57.19 cm3 ;(6)Molar Volume: 141.1 cm3 ;(7)Surface Tension: 73.5 dyne/cm ;(8)Enthalpy of Vaporization: 61.55 kJ/mol ;(9)Vapour Pressure: 1.24E-05 mmHg at 25 °C .

This chemicals can be described computed from structure: 
1) SMILES: c1cc2c(cc1Br)snc2C(=O)N
2) InChI: InChI=1/C8H5BrN2OS/c9-4-1-2-5-6(3-4)13-11-7(5)8(10)12/h1-3H,(H2,10,12)
3) InChIKey: UJUQKKQVABLGNY-UHFFFAOYAU