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701224-54-6

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Basic Information
CAS No.: 701224-54-6
Name: 1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE
Molecular Structure:
Molecular Structure of 701224-54-6 (1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE)
Formula: C14H12N2O
Molecular Weight: 224.25788
Synonyms: 1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE
Density: 1.15 g/cm3
Boiling Point: 410.7 °C at 760 mmHg
Flash Point: 202.2 °C
PSA: 30.96000
LogP: 3.19140
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    Molecular Formula: C14H12N2O Formula Weight: 224.25788

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Specification

The 1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-, with the CAS registry number 701224-54-6, is also known as 1-Benzyl-2-(2-furyl)-1H-imidazole. This chemical's molecular formula is C14H12N2O and molecular weight is 224.25788. What's more, its IUPAC name and systematic name are the same which is called 1-Benzyl-2-(furan-2-yl)-1H-imidazole.

Physical properties about 1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 30.96 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 67.81 cm3; (9)Molar Volume: 194.4 cm3; (10)Surface Tension: 44.9 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 202.2 °C; (13)Enthalpy of Vaporization: 66.3 kJ/mol; (14)Boiling Point: 410.7 °C at 760 mmHg; (15)Vapour Pressure: 5.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccn(c1c2occc2)Cc3ccccc3
(2) InChI: InChI=1/C14H12N2O/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-10H,11H2
(3) InChIKey: XDSFJXOLVUTTJG-UHFFFAOYAJ