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Name |
1H-Indazole, 4-methoxy- |
EINECS | N/A |
CAS No. | 351210-06-5 | Density | 1.244 |
PSA | 37.91000 | LogP | 1.57150 |
Solubility | N/A | Melting Point |
117-120 °C |
Formula | C8H8N2O | Boiling Point | 312.5 °C at 760 mmHg |
Molecular Weight | 148.164 | Flash Point | 114.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methoxy-1H-indazole; |
Article Data | 7 |
The 1H-Indazole, 4-methoxy- has the CAS registry number 351210-06-5. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16. What's more, its systematic name is 4-methoxy-1H-indazole.
Physical properties of 1H-Indazole, 4-methoxy- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/BCF (pH 5.5): 12.27; (5)ACD/KOC (pH 5.5): 209.38; (6)ACD/KOC (pH 7.4): 209.43; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.91 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 43.29 cm3; (13)Molar Volume: 119 cm3; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 114.6 °C; (17)Enthalpy of Vaporization: 53.14 kJ/mol; (18)Boiling Point: 312.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000968 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC2=C1C=NN2
(2)InChI: InChI=1S/C8H8N2O/c1-11-8-4-2-3-7-6(8)5-9-10-7/h2-5H,1H3,(H,9,10)
(3)InChIKey: RHXWAMSYANZWMS-UHFFFAOYSA-N