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121779-19-9

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Basic Information
CAS No.: 121779-19-9
Name: 1-(BENZYLOXY)-1H-IMIDAZOLE
Article Data: 4
Molecular Structure:
Molecular Structure of 121779-19-9 (1-(BENZYLOXY)-1H-IMIDAZOLE)
Formula: C10H10N2O
Molecular Weight: 174.2
Synonyms: 1-(Benzyloxy)-1H-imidazole;
Density: 1.09 g/cm3
Melting Point: 31-33 °C
Boiling Point: 312.9 °C at 760 mmHg
Flash Point: 143.1 °C
PSA: 27.05000
LogP: 1.51190
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Specification

The 1H-Imidazole,1-(phenylmethoxy)- has the CAS registry number 121779-19-9. This chemical's molecular formula is C10H10N2O and molecular weight is 174.2. What's more, its systematic name is 1-(benzyloxy)-1H-imidazole. 

Physical properties of 1H-Imidazole,1-(phenylmethoxy)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 17.06; (6)ACD/BCF (pH 7.4): 20.11; (7)ACD/KOC (pH 5.5): 252.89; (8)ACD/KOC (pH 7.4): 298.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 51.93 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 20.58×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 143.1 °C; (20)Enthalpy of Vaporization: 55.4 kJ/mol; (21)Boiling Point: 312.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000512 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(n1ccnc1)Cc2ccccc2
(2)InChI: InChI=1S/C10H10N2O/c1-2-4-10(5-3-1)8-13-12-7-6-11-9-12/h1-7,9H,8H2
(3)InChIKey: AGJCQEWHSOFIOP-UHFFFAOYSA-N