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CAS No.: | 248282-10-2 |
---|---|
Name: | ETHYL-5-CHLORO-1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINE CARBOXYLATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C13H12ClNO4 |
Molecular Weight: | 281.696 |
Synonyms: | Ethyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate; |
Density: | 1.436 g/cm3 |
Boiling Point: | 419.016 °C at 760 mmHg |
Flash Point: | 207.214 °C |
PSA: | 68.53000 |
LogP: | 2.07420 |
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The 3-Quinolinecarboxylicacid, 5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester, with the CAS registry number 248282-10-2, is also known as Ethyl-5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-quinoline carboxylate. This chemical's molecular formula is C13H12ClNO4 and molecular weight is 281.69. What's more, its systematic name is called Ethyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate.
Physical properties about 3-Quinolinecarboxylicacid, 5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester are: (1)ACD/LogP: 2.406; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): -0.40; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 44.23; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 68.497 cm3; (15)Molar Volume: 196.15 cm3; (16)Polarizability: 27.154×10-24 cm3; (17)Surface Tension: 59.21 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 207.214 °C; (20)Enthalpy of Vaporization: 70.917 kJ/mol; (21)Boiling Point: 419.016 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C\2=C(/O)c1c(Cl)cccc1N(C)C/2=O
(2) InChI: InChI=1S/C13H12ClNO4/c1-3-19-13(18)10-11(16)9-7(14)5-4-6-8(9)15(2)12(10)17/h4-6,16H,3H2,1-2H3
(3) InChIKey: POQZLXDTXDVHMY-UHFFFAOYSA-N