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| CAS No.: | 40598-73-0 |
|---|---|
| Name: | 3-BROMO-6-METHYL (1H)INDAZOLE |
| Molecular Structure: | |
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| Formula: | C8H7BrN2 |
| Molecular Weight: | 211.06 |
| Synonyms: | 3-BROMO-6-METHYL (1H)INDAZOLE;3-BROMO-6-METHYLINDAZOLE;3-BroMo-6-Methyl-1H-pyrazolo[3,4-b]pyridine |
| Density: | 1.655 g/cm3 |
| Boiling Point: | 345.003 °C at 760 mmHg |
| Flash Point: | 162.452 °C |
| PSA: | 28.68000 |
| LogP: | 2.63380 |
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Specification
The 1H-Indazole,3-bromo-6-methyl- has CAS registry number 40598-73-0. This chemical's molecular formula is C8H7BrN2 and molecular weight is 211.06. Its systematic name is called 3-bromo-6-methyl-1H-indazole.
Physical properties of 1H-Indazole,3-bromo-6-methyl-: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.068; (3)ACD/LogD (pH 7.4): 3.068; (4)ACD/BCF (pH 5.5): 126.342; (5)ACD/BCF (pH 7.4): 126.341; (6)ACD/KOC (pH 5.5): 1111.471; (7)ACD/KOC (pH 7.4): 1111.46; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.697; (11)Molar Refractivity: 49.135 cm3; (12)Molar Volume: 127.555 cm3; (13)Surface Tension: 58.654 dyne/cm; (14)Density: 1.655 g/cm3; (15)Flash Point: 162.452 °C; (16)Enthalpy of Vaporization: 56.573 kJ/mol; (17)Boiling Point: 345.003 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)[nH]nc2Br
(2)InChI: InChI=1/C8H7BrN2/c1-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H,10,11)
(3)InChIKey: WQBAPWGVIHWNLY-UHFFFAOYAV