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Basic Information
CAS No.: 112966-26-4
Name: (R)-(4-Chlorophenyl)(pyridin-2-yl)methanol
Molecular Structure:
Molecular Structure of 112966-26-4 ((R)-(4-Chlorophenyl)(pyridin-2-yl)methanol)
Formula: C12H10ClNO
Molecular Weight: 219.671
Synonyms: 2-Pyridinemethanol,a-(4-chlorophenyl)-, (R)-;(R)-(4-chlorophenyl)-(2-pyridyl)methanol;
Density: 1.275 g/cm3
Boiling Point: 364.3 °C at 760 mmHg
Flash Point: 174.1 °C
PSA: 33.12000
LogP: 2.81670
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Specification

The (R)-(4-Chlorophenyl)(pyridin-2-yl)methanol, with the CAS registry number 112966-26-4, has the systematic name of (R)-(4-chlorophenyl)-(2-pyridyl)methanol. And the molecular formula of the chemical is C12H10ClNO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.49; (6)ACD/BCF (pH 7.4): 14.84; (7)ACD/KOC (pH 5.5): 234.28; (8)ACD/KOC (pH 7.4): 239.9; (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: 1.614; (14)Molar Refractivity: 60.09 cm3; (15)Molar Volume: 172.2 cm3; (16)Polarizability: 23.82×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 174.1 °C; (20)Enthalpy of Vaporization: 64.41 kJ/mol; (21)Boiling Point: 364.3 °C at 760 mmHg; (22)Vapour Pressure: 6.01E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccnc(c1)[C@@H](c2ccc(cc2)Cl)O
(2)InChI: InChI=1/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H/t12-/m1/s1
(3)InChIKey: ZFUPOFQRQNJDNS-GFCCVEGCBN