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CAS No.: | 5407-58-9 |
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Name: | 2-butoxy-6-nitro-1,3-benzothiazole |
Molecular Structure: | |
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Formula: | C11H12N2O3S |
Molecular Weight: | 252.294 |
Synonyms: | NSC5448; |
Density: | 1.316 g/cm3 |
Boiling Point: | 375.9 °C at 760mmHg |
Flash Point: | 181.1 °C |
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The Benzothiazole, 2-butoxy-6-nitro- is an organic compound with the molecular formula C11H12N2O3S. Its CAS registry number is 5407-58-9. The IUPAC name of this chemical is called 2-Butoxy-6-nitro-1,3-benzothiazole. What's more, the molecular weight of this chemical is 252.2896.
Physical properties about Benzothiazole, 2-butoxy-6-nitro- are: (1)ACD/LogP: 4.18; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 96.18 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 67.69 cm3; (9)Molar Volume: 191.6 cm3; (10)Polarizability: 26.83×10-24 cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.316 g/cm3; (13)Flash Point: 181.1 °C; (14)Enthalpy of Vaporization: 59.9 kJ/mol; (15)Boiling Point: 375.9 °C at 760 mmHg; (16)Vapour Pressure: 1.63E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2nc(OCCCC)sc2c1
(2) InChI: InChI=1/C11H12N2O3S/c1-2-3-6-16-11-12-9-5-4-8(13(14)15)7-10(9)17-11/h4-5,7H,2-3,6H2,1H3
(3) InChIKey: VUIYBOLQYRHLEV-UHFFFAOYAK