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Name |
3-Pyridinemethanol,6-bromo-a-phenyl- |
EINECS | N/A |
CAS No. | 181647-45-0 | Density | 1.496 g/cm3 |
PSA | 33.12000 | LogP | 2.92580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H10BrNO | Boiling Point | 421.048 °C at 760 mmHg |
Molecular Weight | 264.121 | Flash Point | 208.443 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(6-Bromopyridin-3-yl)(phenyl)methanol; |
The 3-Pyridinemethanol,6-bromo-a-phenyl-, with the CAS registry number 181647-45-0, is also known as (6-Bromopyridin-3-yl)(phenyl)methanol. This chemical's molecular formula is C12H10BrNO and molecular weight is 264.1179. What's more, its systematic name is also called (6-Bromopyridin-3-yl)(phenyl)methanol.
Physical properties about 3-Pyridinemethanol,6-bromo-a-phenyl- are: (1)ACD/LogP: 2.50; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 312; (8)ACD/KOC (pH 7.4): 312; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 62.886 cm3; (15)Molar Volume: 176.498 cm3; (16)Polarizability: 24.93×10-24 cm3; (17)Surface Tension: 53.959 dyne/cm; (18)Density: 1.496 g/cm3; (19)Flash Point: 208.443 °C; (20)Enthalpy of Vaporization: 71.162 kJ/mol; (21)Boiling Point: 421.048 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ncc(cc1)C(O)c2ccccc2
(2) InChI: InChI=1/C12H10BrNO/c13-11-7-6-10(8-14-11)12(15)9-4-2-1-3-5-9/h1-8,12,15H
(3) InChIKey: JKTXMODFOWDBQZ-UHFFFAOYAD