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Basic Information
CAS No.: 100806-78-8
Name: (4-pyrimidin-2-ylphenyl)methanol
Molecular Structure:
Molecular Structure of 100806-78-8 ((4-pyrimidin-2-ylphenyl)methanol)
Formula: C11H10N2O
Molecular Weight: 186.2099
Synonyms: 4-(Pyrimidin-2-yl)benzylalcohol;
Density: 1.201 g/cm3
Melting Point: 76.5 °C
Boiling Point: 271 °C at 760 mmHg
Flash Point: 117.7 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 46.01000
LogP: 1.63590
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Specification

The Benzenemethanol,4-(2-pyrimidinyl)-, with its CAS registry number 100806-78-8, has the systematic name of [4-(pyrimidin-2-yl)phenyl]methanol. And it has the molecular formula of C11H10N2O and the molecular weight of 186.2. Besides, it is a kind of harmful chemical, so you should be careful while dealing with this chemical.

The characteristics of Benzenemethanol,4-(2-pyrimidinyl)- are as follows: (1)ACD/LogP: 0.57; (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): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 98; (8)ACD/KOC (pH 7.4): 98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.479 cm3; (15)Molar Volume: 154.982 cm3; (16)Polarizability: 21.201×10-24cm3; (17)Surface Tension: 55.215 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 117.71 °C; (20)Enthalpy of Vaporization: 53.794 kJ/mol; (21)Boiling Point: 271.022 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:OCc1ccc(cc1)c2ncccn2
(2)InChI:InChI=1/C11H10N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-7,14H,8H2
(3)InChIKey:NUNFHGGALVZZAU-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C11H10N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-7,14H,8H2
(5)Std. InChIKey:NUNFHGGALVZZAU-UHFFFAOYSA-N