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| CAS No.: | 52199-24-3 |
|---|---|
| Name: | 2-[(4-BroMoMethyl)phenyl]pyridine |
| Molecular Structure: | |
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| Formula: | C12H10BrN |
| Molecular Weight: | 248.122 |
| Synonyms: | 2-[(4-Bromomethyl)phenyl]pyridine; |
| Density: | 1.398 g/cm3 |
| Boiling Point: | 345.09 °C at 760 mmHg |
| Flash Point: | 162.505 °C |
| PSA: | 12.89000 |
| LogP: | 3.64350 |
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The CAS registry number of Pyridine, 2-[4-(bromomethyl)phenyl]- is 52199-24-3. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C12H10BrN and molecular weight is 247.00. What's more, its systematic name is called 2-[4-(Bromomethyl)phenyl]pyridine.
Physical properties about Pyridine, 2-[4-(bromomethyl)phenyl]- are: (1)ACD/LogP: 3.521; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 258.12; (6)ACD/BCF (pH 7.4): 279.05; (7)ACD/KOC (pH 5.5): 1812.36; (8)ACD/KOC (pH 7.4): 1959.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 61.584 cm3; (15)Molar Volume: 177.434 cm3; (16)Polarizability: 24.414×10-24cm3; (17)Surface Tension: 46.66 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 162.505 °C; (20)Enthalpy of Vaporization: 56.583 kJ/mol; (21)Boiling Point: 345.09 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc2ccc(c1ncccc1)cc2
(2) InChI: InChI=1S/C12H10BrN/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,9H2
(3) InChIKey: FCLQGHNSQXFQEG-UHFFFAOYSA-N