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181647-45-0

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Basic Information
CAS No.: 181647-45-0
Name: (6-BROMO-PYRIDIN-2-YL)-PHENYL-METHANOL
Molecular Structure:
Molecular Structure of 181647-45-0 ((6-BROMO-PYRIDIN-2-YL)-PHENYL-METHANOL)
Formula: C12H10BrNO
Molecular Weight: 264.121
Synonyms: (6-Bromopyridin-3-yl)(phenyl)methanol;
Density: 1.496 g/cm3
Boiling Point: 421.048 °C at 760 mmHg
Flash Point: 208.443 °C
PSA: 33.12000
LogP: 2.92580
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Specification

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