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| CAS No.: | 944804-88-0 |
|---|---|
| Name: | Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H11BrN2O2S |
| Molecular Weight: | 279.158 |
| Synonyms: | tert-Butyl 4-bromothiazol-2-ylcarbamate; |
| Density: | 1.574 g/cm3 |
| PSA: | 79.46000 |
| LogP: | 3.32560 |
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Specification
The Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethylester is an organic compound with the formula C8H11BrN2O2S. With the CAS registry number 944804-88-0, its systematic name is tert-Butyl (4-bromo-1,3-thiazol-2-yl)carbamate.
Physical properties of Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethylester: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 76.11; (7)ACD/KOC (pH 7.4): 7.51; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 60.3 cm3; (13)Molar Volume: 177.3 cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.574 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1nc(cs1)Br
(2)InChI: InChI=1/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)
(3)InChIKey: OVRIFGLINJVMLO-UHFFFAOYAT