- 2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester
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Cas Database |
| Name |
2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester |
EINECS | N/A |
| CAS No. | 643044-04-6 | Density | 1.434 g/cm3 |
| PSA | 39.19000 | LogP | 3.32820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H7Cl2NO2 | Boiling Point | 377.3 °C at 760 mmHg |
| Molecular Weight | 256.08 | Flash Point | 182 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl 4,7-dichloroquinoline-2-carboxylate; |
Article Data | 3 |
2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester 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
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