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1150617-92-7

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Basic Information
CAS No.: 1150617-92-7
Name: 2-Chloro-5,6-dihydrocyclopenta[b]pyridin-7-one
Article Data: 7
Molecular Structure:
Molecular Structure of 1150617-92-7 (2-Chloro-5,6-dihydrocyclopenta[b]pyridin-7-one)
Formula: C8H6ClNO
Molecular Weight: 167.595
Synonyms: 2-Chloro-5, 6-dihydrocyclopenta[2, 1-b]pyridin-7-one;
Density: 1.394 g/cm3
Melting Point: 136-138 °C
Boiling Point: 313.568 °C at 760 mmHg
Flash Point: 143.441 °C
PSA: 29.96000
LogP: 1.86390
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Specification

The 2-Chloro-5, 6-dihydrocyclopenta[b]pyridin-7-one, with the CAS registry number 1150617-92-7, is also known as 2-Chloro-5, 6-dihydrocyclopenta[2, 1-b]pyridin-7-one. This chemical's molecular formula is C8H6ClNO and molecular weight is 167.5923. What's more, its systematic name is 2-Chloro-5, 6-dihydrocyclopenta[b]pyridin-7-one.

Physical properties about 2-Chloro-5, 6-dihydrocyclopenta[b]pyridin-7-one are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.366; (4)ACD/LogD (pH 7.4): 1.366; (5)ACD/BCF (pH 5.5): 6.428; (6)ACD/BCF (pH 7.4): 6.428; (7)ACD/KOC (pH 5.5): 131.835; (8)ACD/KOC (pH 7.4): 131.838; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 41.544 cm3; (15)Molar Volume: 120.196 cm3; (16)Polarizability: 16.469×10-24 cm3; (17)Surface Tension: 57.076 dyne/cm; (18)Density: 1.394 g/cm3; (19)Flash Point: 143.441 °C; (20)Enthalpy of Vaporization: 55.466 kJ/mol; (21)Boiling Point: 313.568 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc2c1CCC2=O)Cl
(2) InChI: InChI=1/C8H6ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4H,1,3H2
(3) InChIKey: LFTCYZANBKFQRY-UHFFFAOYAF