1H-Indazole,5-(phenylmethoxy)- supplier

Name
5-BENZYLOXY-1H-INDAZOLE
EINECS
CAS No. 78299-75-9
Article Data3
CAS DataBase
Density 1.247 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂N₂O
Boiling Point 422.4 °C at 760 mmHg
Molecular Weight 224.262
Flash Point 152.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(Benzyloxy)-1H-indazole;5-(Benzyloxy)indazole;5-(benzyloxy)-1H-indazole;
PSA 37.91000
LogP 3.14190

1H-Indazole,5-(phenylmethoxy)- Specification

The 1H-Indazole,5-(phenylmethoxy)-, with the CAS registry number 78299-75-9, has the systmatic name of 5-(benzyloxy)-1H-indazole. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C₁₄H₁₂N₂O.

The physical properties of 1H-Indazole,5-(phenylmethoxy)- are as following: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 222.3; (6)ACD/BCF (pH 7.4): 222.31; (7)ACD/KOC (pH 5.5): 1665.5; (8)ACD/KOC (pH 7.4): 1665.56; (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: 1.677; (14)Molar Refractivity: 67.78 cm³; (15)Molar Volume: 179.7 cm³; (16)Polarizability: 26.87×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 152.5 °C; (20)Enthalpy of Vaporization: 65.04 kJ/mol; (21)Boiling Point: 422.4 °C at 760 mmHg; (22)Vapour Pressure: 5.94E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc2nncc12)OCc3ccccc3
(2)InChI: InChI=1/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-6-7-14-12(8-13)9-15-16-14/h1-9H,10H2,(H,15,16)
(3)InChIKey: INFXNBBPBLSPDV-UHFFFAOYAJ

Product Name

5-BENZYLOXY-1H-INDAZOLE

1H-Indazole,5-(phenylmethoxy)- Specification

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