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Basic Information
CAS No.: 138770-67-9
Name: 1-(4-CHLORO-2-METHYLQUINOLIN-3-YL)ETHANONE
Article Data: 2
Molecular Structure:
Molecular Structure of 138770-67-9 (1-(4-CHLORO-2-METHYLQUINOLIN-3-YL)ETHANONE)
Formula: C12H10ClNO
Molecular Weight: 219.05
Synonyms: 1-(4-CHLORO-2-METHYLQUINOLIN-3-YL)ETHANONE;1-(4-Chloro-2-methyl-3-quinolinyl)-ethanone
Density: 1.244 g/cm3
Boiling Point: 304.715 °C at 760 mmHg
Flash Point: 138.087 °C
PSA: 29.96000
LogP: 3.39920
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Specification

The CAS registry number of 1-(4-Chloro-2-methyl-3-quinolinyl)-ethanone is 138770-67-9. This chemical's molecular formula is C12H10ClNO and molecular weight is 219.05. What's more, its systematic name is called 1-(4-Chloro-2-methyl-3-quinolyl)ethanone.

Physical properties about 1-(4-Chloro-2-methyl-3-quinolinyl)-ethanone are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.783; (4)ACD/LogD (pH 7.4): 2.783; (5)ACD/BCF (pH 5.5): 76.669; (6)ACD/BCF (pH 7.4): 76.775; (7)ACD/KOC (pH 5.5): 777.053; (8)ACD/KOC (pH 7.4): 778.128; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 61.935 cm3; (15)Molar Volume: 176.529 cm3; (16)Surface Tension: 47.711 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 138.087 °C; (19)Enthalpy of Vaporization: 54.51 kJ/mol; (20)Boiling Point: 304.715 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(c(c2ccccc2n1)Cl)C(=O)C
(2) InChI: InChI=1S/C12H10ClNO/c1-7-11(8(2)15)12(13)9-5-3-4-6-10(9)14-7/h3-6H,1-2H3
(3) InChIKey: AQGFSEWPELITRP-UHFFFAOYSA-N