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Name |
1H-Indazole,4-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 850364-08-8 | Density | 1.247 g/cm3 |
PSA | 37.91000 | LogP | 3.14190 |
Solubility | N/A | Melting Point |
118-123℃ (heptane ) |
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 |
4-Benzyloxy-1H-indazole;4-(benzyloxy)-1H-indazole; |
Article Data | 4 |
The 1H-Indazole,4-(phenylmethoxy)-, with the CAS registry number 850364-08-8, has the systmatic name of 4-(benzyloxy)-1H-indazole. It belongs to the product category of Indazole. And the molecular formula of this chemical is C14H12N2O.
The physical properties of 1H-Indazole,4-(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): 222.26; (6)ACD/BCF (pH 7.4): 222.31; (7)ACD/KOC (pH 5.5): 1665.2; (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: c2ccc(OCc1ccccc1)c3cnnc23
(2)InChI: InChI=1/C14H12N2O/c1-2-5-11(6-3-1)10-17-14-8-4-7-13-12(14)9-15-16-13/h1-9H,10H2,(H,15,16)
(3)InChIKey: KTYOLSBHUABXAW-UHFFFAOYAH