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CAS No.: | 1032943-43-3 |
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Name: | 4-Bromo-1H-pyrazolo[3,4-c]pyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4BrN3 |
Molecular Weight: | 198.022 |
Synonyms: | 1H-pyrazolo[3,4-c]pyridine, 4-bromo-; |
Density: | 1.895 g/cm3 |
Boiling Point: | 357.531 °C at 760 mmHg |
Flash Point: | 170.029 °C |
Appearance: | white solid |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 41.57000 |
LogP: | 1.72040 |
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The 4-Bromo-1H-pyrazolo[3,4-c]pyridine, with the CAS registry number 1032943-43-3, is also known as 1H-pyrazolo[3,4-c]pyridine, 4-bromo-. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.02. What's more, its systematic name is 4-bromo-1H-pyrazolo[3,4-c]pyridine.
Physical properties of 4-Bromo-1H-pyrazolo[3,4-c]pyridine are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.109; (5)ACD/BCF (pH 5.5): 22.549; (6)ACD/BCF (pH 7.4): 23.56; (7)ACD/KOC (pH 5.5): 319.241; (8)ACD/KOC (pH 7.4): 333.546; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 42.401 cm3; (15)Molar Volume: 104.504 cm3; (16)Polarizability: 16.809×10-24 cm3; (17)Surface Tension: 76.935 dyne/cm; (18)Density: 1.895 g/cm3; (19)Flash Point: 170.029 °C; (20)Enthalpy of Vaporization: 57.915 kJ/mol; (21)Boiling Point: 357.531 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cncc2Br)[nH]n1
(2)InChI: InChI=1/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10)
(3)InChIKey: KFGSMEJCZZYNNG-UHFFFAOYAH