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| CAS No.: | 926922-40-9 |
|---|---|
| Name: | 4-Bromo-5-methyl-1H-Indazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7BrN2 |
| Molecular Weight: | 211.061 |
| Synonyms: | 4-BROMO-5-METHYL-1H-INDAZOLE;1H-Indazole, 4-broMo-5-Methyl-;4-bromo-5-methyl-indazole |
| Density: | 1.655 g/cm3 |
| Boiling Point: | 344.623 °C at 760 mmHg |
| Flash Point: | 162.222 °C |
| PSA: | 28.68000 |
| LogP: | 2.63380 |
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- Total:35 Page 1 of 1 1
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Specification
The CAS register number of 4-Bromo-5-methyl-1H-Indazole is 926922-40-9. The molecular formula about this chemical is C8H7BrN2 and the molecular weight is 211.0586. It belongs to the following product categories which include Building Blocks; Indazole and so on.
Physical properties about 4-Bromo-5-methyl-1H-Indazole are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3.089; (3)ACD/LogD (pH 7.4): 3.089; (4)ACD/BCF (pH 5.5): 131.006; (5)ACD/BCF (pH 7.4): 131.007; (6)ACD/KOC (pH 5.5): 1140.683; (7)ACD/KOC (pH 7.4): 1140.692; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 49.135 cm3; (13)Molar Volume: 127.555 cm3; (14)Polarizability: 19.479x10-24cm3; (15)Surface Tension: 58.654 dyne/cm; (16)Density: 1.655 g/cm3; (17)Flash Point: 162.222 °C; (18)Enthalpy of Vaporization: 56.533 kJ/mol; (19)Boiling Point: 344.623 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1Br)cn[nH]2
(2)InChI: InChI=1/C8H7BrN2/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: YBLXBXPJJAZHDS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: YBLXBXPJJAZHDS-UHFFFAOYSA-N