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| CAS No.: | 848501-94-0 |
|---|---|
| Name: | 2-BROMO-THIAZOLE-4-CARBOXAMIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H3BrN2OS |
| Molecular Weight: | 207.051 |
| Synonyms: | 2-BROMO-THIAZOLE-4-CARBOXAMIDE;2-bromo-1,3-thiazole-4-carboxamide(SALTDATA: FREE);2-broMo-1,3-thiazole-4-carboxaMide |
| Density: | 1.934 g/cm3 |
| Boiling Point: | 390.7 °C at 760 mmHg |
| Flash Point: | 190.1 °C |
| PSA: | 84.22000 |
| LogP: | 1.70480 |
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- Total:20 Page 1 of 1 1
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Specification
The 4-Thiazolecarboxamide,2-bromo- is the organic compound with the formula C4H3BrN2OS. With the CAS registry number 848501-94-0, its systematic name is 2-Bromo-1,3-thiazole-4-carboxamide.
Physical properties of 4-Thiazolecarboxamide,2-bromo-: (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1.29; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 41.86; (7)ACD/KOC (pH 7.4): 41.86; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 39.34 cm3; (13)Molar Volume: 107 cm3; (14)Surface Tension: 69.9 dyne/cm; (15)Density: 1.934 g/cm3; (16)Flash Point: 190.1 °C; (17)Enthalpy of Vaporization: 64.02 kJ/mol; (18)Boiling Point: 390.7 °C at 760 mmHg; (19)Vapour Pressure: 2.61E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(s1)Br)C(=O)N
(2)InChI: InChI=1/C4H3BrN2OS/c5-4-7-2(1-9-4)3(6)8/h1H,(H2,6,8)
(3)InChIKey: FELGLJBDEZWZPW-UHFFFAOYAW