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| CAS No.: | 52378-64-0 |
|---|---|
| Name: | (3-bromopyridin-2-yl)methanol |
| Molecular Structure: | |
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| Formula: | C6H6BrNO |
| Molecular Weight: | 188.024 |
| Synonyms: | 3-Bromo-2-(hydroxymethyl)pyridine; |
| Density: | 1.669 g/cm3 |
| Boiling Point: | 260.929 °C at 760 mmHg |
| Flash Point: | 111.606 °C |
| PSA: | 33.12000 |
| LogP: | 1.33640 |
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Specification
The 2-Pyridinemethanol, 3-bromo-, with the CAS registry number of 52378-64-0, is also known as 3-Bromopyridine-2-methanol. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.0219. What's more, its systematic name is called (3-Bromopyridin-2-yl)methanol.
Physical properties about 2-Pyridinemethanol, 3-bromo- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 48; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 38.486 cm3; (15)Molar Volume: 112.658 cm3; (16)Surface Tension: 54.045 dyne/cm; (17)Density: 1.669 g/cm3; (18)Flash Point: 111.606 °C; (19)Enthalpy of Vaporization: 52.682 kJ/mol; (20)Boiling Point: 260.929 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccnc1CO
(2) InChI: InChI=1/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
(3) InChIKey: FTTLCYCJDYIEFO-UHFFFAOYAU