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| CAS No.: | 94444-96-9 |
|---|---|
| Name: | 5-METHOXY-1H-INDAZOLE |
| Molecular Structure: | |
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| Formula: | C8H8N2O |
| Molecular Weight: | 148.164 |
| Synonyms: | 5-Methoxy-1H-indazole; |
| Density: | 1.244 g/cm3 |
| Boiling Point: | 312.497 °C at 760 mmHg |
| Flash Point: | 114.568 °C |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 37.91000 |
| LogP: | 1.57150 |
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Specification
The IUPAC Name of this product is 5-methoxy-1H-indazole . With the CAS registry number 94444-96-9, it is also named as 1H-indazole, 5-methoxy- . It can be used as pharmaceutical intermediates and raw meterials.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.76 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2 ; (4)ACD/LogD (pH 7.4): 2 ; (5)ACD/BCF (pH 5.5): 12 ; (6)ACD/BCF (pH 7.4): 12 ; (7)ACD/KOC (pH 5.5): 209 ; (8)ACD/KOC (pH 7.4): 209 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.647 ; (13)Molar Refractivity: 43.298 cm3 ; (14)Molar Volume: 119.098 cm3 ; (15)Polarizability: 17.165×10-24 cm3 ; (16)Surface Tension: 53.121 dyne/cm ; (17)Enthalpy of Vaporization: 53.143 kJ/mol ; (18)Vapour Pressure: 0.001 mmHg at 25°C ; (19)Rotatable Bond Count: 1 ; (20)Tautomer Count: 2 ; (21)Exact Mass: 148.063663 ; (22)MonoIsotopic Mass: 148.063663 ; (23)Topological Polar Surface Area: 37.9 ; (24)Heavy Atom Count: 11.
People can use the following data to convert to the molecule structure. SMILES: COc1cc2cnnc2cc1; InChI: InChI=1/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10); InChIKey: GZWWDKIVVTXLFL-UHFFFAOYAO. 5-Methoxy-1H-indazole has many suppliers, such as Shanghai Langli Fine Chemical Co., Ltd..