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| CAS No.: | 21160-53-2 |
|---|---|
| Name: | [2-(4-Bromo-phenyl)-thiazol-4-yl]-methanol |
| Molecular Structure: | |
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| Formula: | C10H8BrNOS |
| Molecular Weight: | 270.15 |
| Synonyms: | [2-(4-Bromophenyl)thiazol-4-yl]methanol; |
| Density: | 1.614 g/cm3 |
| Boiling Point: | 412.499 °C at 760 mmHg |
| Flash Point: | 203.273 °C |
| PSA: | 61.36000 |
| LogP: | 3.06490 |
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Specification
This chemical is called [2-(4-Bromo-phenyl)-thiazol-4-yl]-methanol, and it can also be named as [2-(4-Bromophenyl)thiazol-4-yl]methanol. With the molecular formula of C10H8BrNOS, its molecular weight is 270.15. The CAS registry number of this chemical is 21160-53-2. Additionally, its systematic name is [2-(4-Bromophenyl)thiazol-4-yl]methanol.
Other characteristics of the [2-(4-Bromo-phenyl)-thiazol-4-yl]-methanol can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.955; (4)ACD/LogD (pH 7.4): 2.955; (5)ACD/BCF (pH 5.5): 103.704; (6)ACD/BCF (pH 7.4): 103.707; (7)ACD/KOC (pH 5.5): 964.965; (8)ACD/KOC (pH 7.4): 964.996; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.36 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 61.462 cm3; (15)Molar Volume: 167.423 cm3; (16)Polarizability: 24.365×10-24 cm3; (17)Surface Tension: 57.972 dyne/cm; (18)Density: 1.614 g/cm3; (19)Flash Point: 203.273 °C; (20)Enthalpy of Vaporization: 70.131 kJ/mol; (21)Boiling Point: 412.499 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ccc1c2nc(cs2)CO)Br
2.InChI: InChI=1/C10H8BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
3.InChIKey: HKIBHFBTMSKGEX-UHFFFAOYAC