This product is an organic compound with the formula C6H4ClN3. The systematic name of this chemical is 4-Chloro-1H-pyrazolo[4,3-c]pyridine. With the CAS registry number 871836-51-0, it is also named as 1H-Pyrazolo[4,3-c]pyridine, 4-chloro-. In addition, the molecular weight is 153.57.
Physical properties of 4-Chloro-1H-pyrazolo[4,3-c]pyridine are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.133; (4)ACD/LogD (pH 7.4): 1.169; (5)ACD/BCF (pH 5.5): 4.192; (6)ACD/BCF (pH 7.4): 4.55; (7)ACD/KOC (pH 5.5): 94.797; (8)ACD/KOC (pH 7.4): 102.886; (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: 1.72; (14)Molar Refractivity: 39.606 cm3; (15)Molar Volume: 100.27 cm3; (16)Polarizability: 15.701×10-24cm3; (17)Surface Tension: 74.795 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 201.244 °C; (20)Enthalpy of Vaporization: 57.91 kJ/mol; (21)Boiling Point: 357.485 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c2c1[nH]nc2)Cl
(2)Std. InChI: InChI=1S/C6H4ClN3/c7-6-4-3-9-10-5(4)1-2-8-6/h1-3H,(H,9,10)
(3)Std. InChIKey: FUXZQGSDRGDYGX-UHFFFAOYSA-N
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