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CAS No.: | 357263-48-0 |
---|---|
Name: | 7-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 7-Chloro-4-azaindole; |
Density: | 1.425 g/cm3 |
Boiling Point: | 290.572 °C at 760 mmHg |
Flash Point: | 157.181 °C |
PSA: | 28.68000 |
LogP: | 2.21630 |
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The 1H-Pyrrolo[3,2-b]pyridine,7-chloro-, with the CAS registry number 357263-48-0, is also known as 7-Chloro-4-azaindole. This chemical's molecular formula is C7H5ClN2 and molecular weight is 152.58. What's more, both its IUPAC name and systematic name are the same which is called 7-Chloro-1H-pyrrolo[3,2-b]pyridine.
Physical properties about 1H-Pyrrolo[3,2-b]pyridine,7-chloro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 91; (8)ACD/KOC (pH 7.4): 278; (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: 1.703; (14)Molar Refractivity: 41.515 cm3; (15)Molar Volume: 107.046 cm3; (16)Surface Tension: 62.289 dyne/cm; (17)Density: 1.425 g/cm3; (18)Flash Point: 157.181 °C; (19)Enthalpy of Vaporization: 50.871 kJ/mol; (20)Boiling Point: 290.572 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccnc2ccnc12
(2) InChI: InChI=1S/C7H5ClN2/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H
(3) InChIKey: ZBEYLQBHTDNDDR-UHFFFAOYSA-N