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| CAS No.: | 209286-63-5 |
|---|---|
| Name: | 2-(BROMOMETHYL)-4-CHLOROTHIENO[3,2-C]PYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H5BrClNS |
| Molecular Weight: | 262.557 |
| Synonyms: | 2-(BROMOMETHYL)-4-CHLOROTHIENO[3,2-C]PYRIDINE;2-(broMoMethyl)-4-chlorothieno[3 |
| Density: | 1.778 g/cm3 |
| Boiling Point: | 377.406 °C at 760 mmHg |
| Flash Point: | 182.049 °C |
| PSA: | 41.13000 |
| LogP: | 3.84460 |
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Specification
This chemical is called 2-(Bromomethyl)-4-chlorothieno[3,2-c]pyridine, and it can also be named as Thieno[3,2-c]pyridine, 2-(bromomethyl)-4-chloro-. With the molecular formula of C8H5BrClNS, its molecular weight is 262.55. The CAS registry number of this chemical is 209286-63-5. Additionally, its product category is Chiral Chemicals.
Other characteristics of the 2-(Bromomethyl)-4-chlorothieno[3,2-c]pyridine can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.272; (4)ACD/LogD (pH 7.4): 3.272; (5)ACD/BCF (pH 5.5): 180.664; (6)ACD/BCF (pH 7.4): 180.664; (7)ACD/KOC (pH 5.5): 1435.743; (8)ACD/KOC (pH 7.4): 1435.743; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 58.114 cm3; (15)Molar Volume: 147.695 cm3; (16)Polarizability: 23.038×10-24cm3; (17)Surface Tension: 61.278 dyne/cm; (18)Density: 1.778 g/cm3; (19)Flash Point: 182.049 °C; (20)Enthalpy of Vaporization: 60.066 kJ/mol; (21)Boiling Point: 377.406 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cnc(c2c1sc(c2)CBr)Cl
2.InChI: InChI=1/C8H5BrClNS/c9-4-5-3-6-7(12-5)1-2-11-8(6)10/h1-3H,4H2
3.InChIKey: WFAPVCILZFJNIT-UHFFFAOYAG