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CAS No.: | 117890-55-8 |
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Name: | 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H8ClN |
Molecular Weight: | 153.611 |
Synonyms: | 5H-cyclopenta[b]pyridine, 2-chloro-6, 7-dihydro-; |
Density: | 1.242 g/cm3 |
Boiling Point: | 236.528 °C at 760 mmHg |
Flash Point: | 119.643 °C |
PSA: | 12.89000 |
LogP: | 2.22370 |
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The 2-Chloro-6, 7-dihydro-5H-cyclopenta[b]pyridine, with the CAS registry number of 117890-55-8, is also known as 5H-cyclopenta[b]pyridine, 2-chloro-6, 7-dihydro-. This chemical's molecular formula is C8H8ClN and molecular weight is 153.611. What's more, its systematic name is called 2-Chloro-6, 7-dihydro-5H-cyclopenta[b]pyridine.
Physical properties about 2-Chloro-6, 7-dihydro-5H-cyclopenta[b]pyridine are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 48; (6)ACD/BCF (pH 7.4): 48; (7)ACD/KOC (pH 5.5): 559; (8)ACD/KOC (pH 7.4): 559; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 41.413 cm3; (15)Molar Volume: 123.699 cm3; (16)Surface Tension: 46.782 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 119.643 °C; (19)Enthalpy of Vaporization: 45.412 kJ/mol; (20)Boiling Point: 236.528 °C at 760 mmHg; (21)Vapour Pressure: 0.072 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2CCCc2n1
(2) InChI: InChI=1/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2
(3) InChIKey: PBMLTRUXYZHCFT-UHFFFAOYAD