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5559-53-5

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Basic Information
CAS No.: 5559-53-5
Name: 2-(CHLOROMETHYL)-3-METHYLQUINOXALINE
Molecular Structure:
Molecular Structure of 5559-53-5 (2-(CHLOROMETHYL)-3-METHYLQUINOXALINE)
Formula: C10H9ClN2
Molecular Weight: 192.6449
Synonyms: 3-(Chloromethyl)-2-methylquinoxaline;
Density: 1.251g/cm3
Boiling Point: 294.5 °C at 760 mmHg
Flash Point: 159.8 °C
PSA: 25.78000
LogP: 2.67700
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Specification

The Quinoxaline, 2-(chloromethyl)-3-methyl-, with CAS registry number 5559-53-5, has the systematic name of 2-(chloromethyl)-3-methylquinoxaline. Besides this, it is also called 3-(Chloromethyl)-2-methylquinoxaline. And the chemical formula of this chemical is C10H9ClN2.

Physical properties of Quinoxaline, 2-(chloromethyl)-3-methyl-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.4; (6)ACD/BCF (pH 7.4): 20.4; (7)ACD/KOC (pH 5.5): 301.3; (8)ACD/KOC (pH 7.4): 301.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 54.86 cm3; (15)Molar Volume: 153.9 cm3; (16)Polarizability: 21.75×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 159.8 °C; (20)Enthalpy of Vaporization: 51.27 kJ/mol; (21)Boiling Point: 294.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00285 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc2ccccc2nc1C
(2)InChI: InChI=1/C10H9ClN2/c1-7-10(6-11)13-9-5-3-2-4-8(9)12-7/h2-5H,6H2,1H3
(3)InChIKey: MXANKYKNKHBMTR-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H9ClN2/c1-7-10(6-11)13-9-5-3-2-4-8(9)12-7/h2-5H,6H2,1H3
(5)Std. InChIKey: MXANKYKNKHBMTR-UHFFFAOYSA-N