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17288-54-9

Basic Information
CAS No.: 17288-54-9
Name: 5-BENZYLOXY-6-AZAINDOLE
Molecular Structure:
Molecular Structure of 17288-54-9 (5-BENZYLOXY-6-AZAINDOLE)
Formula: C14H12N2O
Molecular Weight: 224.262
Synonyms: 5-Benzyloxy-6-azaindole;
Density: 1.247 g/cm3
Boiling Point: 416.048 °C at 760 mmHg
Flash Point: 138.228 °C
PSA: 37.91000
LogP: 3.14190
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Specification

The 5-(benzyloxy)-1H-pyrrolo[2,3-c]pyridine, with the CAS registry number 17288-54-9, is also known as 5-Benzyloxy-6-azaindole. This chemical's molecular formula is C14H12N2O and molecular weight is 224.2579. What's more, its systematic name is called 5-Benzyloxy-1H-pyrrolo[2,3-c]pyridine.

Physical properties about 5-(benzyloxy)-1H-pyrrolo[2,3-c]pyridine are: (1)ACD/LogP: 3.78; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.628; (4)ACD/LogD (pH 7.4): 3.159; (5)ACD/BCF (pH 5.5): 3.094; (6)ACD/BCF (pH 7.4): 105.014; (7)ACD/KOC (pH 5.5): 19.085; (8)ACD/KOC (pH 7.4): 647.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.91 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 67.786 cm3; (15)Molar Volume: 179.799 cm3; (16)Polarizability: 26.872×10-24 cm3; (17)Surface Tension: 56.835 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 138.228 °C; (20)Enthalpy of Vaporization: 64.326 kJ/mol; (21)Boiling Point: 416.048 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COc2cc3cc[nH]c3cn2
(2) InChI: InChI=1/C14H12N2O/c1-2-4-11(5-3-1)10-17-14-8-12-6-7-15-13(12)9-16-14/h1-9,15H,10H2
(3) InChIKey: GKJXHZKWAPDZIF-UHFFFAOYAT