Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indazole,5-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 78299-75-9 | Density | 1.247 g/cm3 |
PSA | 37.91000 | LogP | 3.14190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H12N2O | Boiling Point | 422.4 °C at 760 mmHg |
Molecular Weight | 224.262 | Flash Point | 152.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(Benzyloxy)-1H-indazole;5-(Benzyloxy)indazole;5-(benzyloxy)-1H-indazole; |
Article Data | 3 |
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