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| CAS No.: | 850363-67-6 |
|---|---|
| Name: | 5-BROMO-4-METHOXY-1H-INDAZOLE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H7BrN2O |
| Molecular Weight: | 227.06 |
| Synonyms: | 5-Bromo-4-methoxy-1H-indazole;5-bromo-4-methoxy-1H-indazole;5-Bromo-4-Methoxy-1H-Indazole; |
| Density: | 1.678 g/cm3 |
| Boiling Point: | 363.4 °C at 760 mmHg |
| Flash Point: | 173.6 °C |
| PSA: | 37.91000 |
| LogP: | 2.33400 |
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- Total:24 Page 1 of 1 1
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Specification
The 1H-Indazole,5-bromo-4-methoxy-, with the CAS registry number 850363-67-6, has the systmatic name of 5-bromo-4-methoxy-1H-indazole. It belongs to the product category of Indazole. And the molecular formula of this chemical is C8H7BrN2O.
The physical properties of 1H-Indazole,5-bromo-4-methoxy- are as following: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.37; (6)ACD/BCF (pH 7.4): 33.37; (7)ACD/KOC (pH 5.5): 428.59; (8)ACD/KOC (pH 7.4): 428.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.91 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 50.98 cm3; (15)Molar Volume: 135.2 cm3; (16)Polarizability: 20.21×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.678 g/cm3; (19)Flash Point: 173.6 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 363.4 °C at 760 mmHg; (22)Vapour Pressure: 3.78E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1nncc1c2OC
(2)InChI: InChI=1/C8H7BrN2O/c1-12-8-5-4-10-11-7(5)3-2-6(8)9/h2-4H,1H3,(H,10,11)
(3)InChIKey: IZLZZNZOCDXQCP-UHFFFAOYAU