The 8-(Benzyloxy)imidazo[1,5-a]pyridine, with the CAS registry number 910094-98-3, has the IUPAC name of 8-phenylmethoxyimidazo[1,5-a]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H12N2O.
The characteristics of 8-(Benzyloxy)imidazo[1,5-a]pyridine are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.251; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.619; (6)ACD/KOC (pH 5.5): 1.719; (7)ACD/KOC (pH 7.4): 56.147; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.53 Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 67.817 cm3; (14)Molar Volume: 194.45 cm3; (15)Polarizability: 26.885×10-24cm3; (16)Surface Tension: 44.97 dyne/cm; (17)Density: 1.153 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)COc2cccn3c2cnc3
(2)InChI: InChI=1/C14H12N2O/c1-2-5-12(6-3-1)10-17-14-7-4-8-16-11-15-9-13(14)16/h1-9,11H,10H2
(3)InChIKey: FZKNDLYOEWCOSX-UHFFFAOYAB
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