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| CAS No.: | 175203-53-9 |
|---|---|
| Name: | [1-(4-Chlorobenzyl)-1H-imidazol-2-yl]methanol |
| Molecular Structure: | |
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| Formula: | C11H11ClN2O |
| Molecular Weight: | 222.67 |
| Synonyms: | [1-(4-CHLOROBENZYL)-1H-IMIDAZOL-2-YL]METHANOL;1-(4-CHLOROBENZYL)-4-(HYDROXYMETHYL)IMIDAZOLE;1-(4-Chlorophenyl)-1H-imidazole-2-methanol;[1-(4-chlorobenzyl)-1H-imidazol-2-yl]methanol hydrochloride;{1-[(4-chlorophenyl)Methyl]-1H-iMidazol-2-yl}Methanol |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 384.6 °C at 760 mmHg |
| Flash Point: | 186.4 °C |
| PSA: | 38.05000 |
| LogP: | 2.07710 |
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Specification
This chemical is called [1-(4-Chlorobenzyl)-1H-imidazol-2-yl]methanol, and it can also be named as 1H-imidazole-2-methanol, 1-[(4-chlorophenyl)methyl]-. With the molecular formula of C11H11ClN2O, its molecular weight is 222.67. The CAS registry number of this chemical is 175203-53-9.
Other characteristics of the [1-(4-Chlorobenzyl)-1H-imidazol-2-yl]methanol can be summarised as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.23; (7)ACD/KOC (pH 5.5): 8.32; (8)ACD/KOC (pH 7.4): 134.33; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 60.6 cm3; (15)Molar Volume: 174.7 cm3; (16)Polarizability: 24.02×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 186.4 °C; (20)Enthalpy of Vaporization: 66.8 kJ/mol; (21)Boiling Point: 384.6 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)Cn2ccnc2CO
2.InChI: InChI=1/C11H11ClN2O/c12-10-3-1-9(2-4-10)7-14-6-5-13-11(14)8-15/h1-6,15H,7-8H2
3.InChIKey: WBQUIVPYPWINGE-UHFFFAOYAA