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CAS No.: | 133841-05-1 |
---|---|
Name: | 7-Methoxy-1H-indazole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.164 |
Synonyms: | 7-METHOXY-1H-INDAZOLE;1H-Indazole, 7-methoxy- |
Density: | 1.244 g/cm3 |
Melting Point: | 91-92 °C |
Boiling Point: | 312.5 °C at 760 mmHg |
Flash Point: | 114.6 °C |
PSA: | 37.91000 |
LogP: | 1.57150 |
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This chemical is called 7-Methoxyindazole, and it can also be named as 7-Methoxy-1H-indazole. With the molecular formula of C8H8N2O, its molecular weight is 148.16. The CAS registry number of this chemical is 133841-05-1.
Other characteristics of the 7-Methoxyindazole can be summarised as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.27; (6)ACD/BCF (pH 7.4): 12.27; (7)ACD/KOC (pH 5.5): 209.42; (8)ACD/KOC (pH 7.4): 209.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 43.29 cm3; (15)Molar Volume: 119 cm3; (16)Polarizability: 17.16×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 114.6 °C; (20)Enthalpy of Vaporization: 53.14 kJ/mol; (21)Boiling Point: 312.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000968 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2cc1cccc(OC)c1n2
2.InChI: InChI=1/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
3.InChIKey: QCBANHQTMCETBI-UHFFFAOYAX