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643044-04-6

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Basic Information
CAS No.: 643044-04-6
Name: METHYL 4,7-DICHLORO-QUINOLINE-2-CARBOXYLATE
Article Data: 3
Molecular Structure:
Molecular Structure of 643044-04-6 (METHYL 4,7-DICHLORO-QUINOLINE-2-CARBOXYLATE)
Formula: C11H7Cl2NO2
Molecular Weight: 256.08
Synonyms: Methyl 4,7-dichloroquinoline-2-carboxylate;
Density: 1.434 g/cm3
Boiling Point: 377.3 °C at 760 mmHg
Flash Point: 182 °C
PSA: 39.19000
LogP: 3.32820
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Specification

The 2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester has the CAS registry number 643044-04-6. This chemical's molecular formula is C11H7Cl2NO2 and molecular weight is 256.08. What's more, its systematic name is methyl 4,7-dichloroquinoline-2-carboxylate.

Physical properties of 2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 39.19 Å2; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 63.74 cm3; (11)Molar Volume: 178.5 cm3; (12)Polarizability: 25.27×10-24cm3; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.434 g/cm3; (15)Flash Point: 182 °C; (16)Enthalpy of Vaporization: 62.51 kJ/mol; (17)Boiling Point: 377.3 °C at 760 mmHg; (18)Vapour Pressure: 6.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(c2ccc(cc2n1)Cl)Cl
(2)InChI: InChI=1S/C11H7Cl2NO2/c1-16-11(15)10-5-8(13)7-3-2-6(12)4-9(7)14-10/h2-5H,1H3
(3)InChIKey: BSWADGMXDJAZCP-UHFFFAOYSA-N