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| CAS No.: | 76006-11-6 |
|---|---|
| Name: | 7-Chloro-1H-pyrazolo[3,4-c]pyridine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H4ClN3 |
| Molecular Weight: | 153.5691 |
| Synonyms: | 1H-Pyrazolo[3,4-c]pyridine, 7-chloro-; |
| Density: | 1.532 g/cm3 |
| Melting Point: | 161-163℃ |
| Boiling Point: | 357.485 °C at 760 mmHg |
| Flash Point: | 201.244 °C |
| PSA: | 41.57000 |
| LogP: | 1.61130 |
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Specification
The 7-Chloro-1H-pyrazolo[3,4-c]pyridine, with the CAS registry number 76006-11-6, is also called 1H-Pyrazolo[3,4-c]pyridine, 7-chloro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H4ClN3.
The characteristics of 7-Chloro-1H-pyrazolo[3,4-c]pyridine are as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 80; (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.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nccc2cnnc12
(2)InChI: InChI=1/C6H4ClN3/c7-6-5-4(1-2-8-6)3-9-10-5/h1-3H,(H,9,10)
(3)InChIKey: LGYXPMDWRGMZCV-UHFFFAOYAI