Molecular Structure of 4-Bromo-2-methylbenzothiazole (CAS NO.112146-10-8):
Systematic Name: 6-Bromo-2-methyl-1,3-benzothiazole
Molecular Formula: C8H6BrNS
Molecular Weight: 228.11
CAS Registry Number: 112146-10-8
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Index of Refraction: 1.691
Molar Refractivity: 53.08 cm3
Molar Volume: 138.7 cm3
Surface Tension: 54.3 dyne/cm
Density: 1.644 g/cm3
Flash Point: 134.7 °C
Enthalpy of Vaporization: 51.75 kJ/mol
Boiling Point: 299.1 °C at 760 mmHg
Vapour Pressure: 0.00217 mmHg at 25 °C
SMILES: Brc1ccc2nc(sc2c1)C
InChI: InChI=1/C8H6BrNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKey: NPBQNFVPWXRIGG-UHFFFAOYAE
4-Bromo-2-methylbenzothiazole (CAS NO.112146-10-8), its Synonyms are Benzothiazole,4-bromo-2-methyl- ; 6-Bromo-2-methyl-1,3-benzothiazole .
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