CAS No.76006-13-8,3-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76006-13-8
Name:	3-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE
Article Data:	4

Formula:	C₆H₄BrN₃
Molecular Weight:	198.022
Synonyms:	3-Bromo-1H-pyrazolo[3,4-c]pyridine;
Density:	1.895 g/cm³
Melting Point:	208-210 °C
Boiling Point:	378.612 °C at 760 mmHg
Flash Point:	182.778 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	41.57000
LogP:	1.72040

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Specification

The 1H-Pyrazolo[3,4-c]pyridine,3-bromo- is an organic compound with the formula C₆H₄BrN₃. The systematic name of this chemical is 3-bromo-1H-pyrazolo[3,4-c]pyridine. With the CAS registry number 76006-13-8, it is also named as 3-Bromo-6-azaindazole.

Physical properties about 1H-Pyrazolo[3,4-c]pyridine,3-bromo- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 65; (7)ACD/KOC (pH 7.4): 90; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.746; (12)Molar Refractivity: 42.401 cm³; (13)Molar Volume: 104.504 cm³; (14)Polarizability: 16.809×10^-24cm³; (15)Surface Tension: 76.935 dyne/cm; (16)Density: 1.895 g/cm³; (17)Flash Point: 182.778 °C; (18)Enthalpy of Vaporization: 60.197 kJ/mol; (19)Boiling Point: 378.612 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nnc1cnccc12
(2)InChI: InChI=1/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
(3)InChIKey: ANQCOJNSEVIFFL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
(5)Std. InChIKey: ANQCOJNSEVIFFL-UHFFFAOYSA-N