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CAS No.: | 552331-16-5 |
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Name: | 5-BROMO-3-METHYL-1H-INDAZOLE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.061 |
Synonyms: | 3-Methyl-5-bromo-1H-indazole;5-Bromo-3-methyl-1H-indazole; |
Density: | 1.655 g/cm3 |
Boiling Point: | 341.417 °C at 760 mmHg |
Flash Point: | 160.284 °C |
PSA: | 28.68000 |
LogP: | 2.63380 |
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The 5-Bromo-3-methyl-1H-indazole, with CAS registry number 552331-16-5, belongs to the following product categories: (1)Indazole; (2)Building Blocks. It has the systematic name of 5-bromo-3-methyl-1H-indazole. Besides this, its IUPAC name is 5-bromo-3-methyl-2H-indazole. And the chemical formula of this chemical is C8H7BrN2.
Physical properties of 5-Bromo-3-methyl-1H-indazole: (1)ACD/LogP: 2.40; (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): 39; (6)ACD/BCF (pH 7.4): 39; (7)ACD/KOC (pH 5.5): 481; (8)ACD/KOC (pH 7.4): 481; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 49.135 cm3; (15)Molar Volume: 127.555 cm3; (16)Polarizability: 19.479×10-24cm3; (17)Surface Tension: 58.654 dyne/cm; (18)Enthalpy of Vaporization: 56.191 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(ccc2[nH]n1)Br
(2)InChI: InChI=1/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: XDJNHYAQZWCIAH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: XDJNHYAQZWCIAH-UHFFFAOYSA-N