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194805-07-7

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Basic Information
CAS No.: 194805-07-7
Name: 7-BROMO-1-CYCLOPROPYL-8-(DIFLUOROMETHOXY)-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
Article Data: 5
Molecular Structure:
Molecular Structure of 194805-07-7 (7-BROMO-1-CYCLOPROPYL-8-(DIFLUOROMETHOXY)-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER)
Formula: C16H14BrF2NO4
Molecular Weight: 402.192
Synonyms: Ethyl7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxoquinoline-3-carboxylate;Ethyl7-bromo-1-cyclopropyl-8-difluoromethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate;
Density: 1.624g/cm3
Boiling Point: 477.438 °C at 760 mmHg
Flash Point: 242.546 °C
PSA: 57.53000
LogP: 3.87700
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Specification

The Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate, with cas registry number 194805-07-7,  has the systematic name of ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate. And it is also called 3-quinolinecarboxylic acid, 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxo-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 83.841 cm3; (9)Molar Volume: 247.577 cm3; (10)Polarizability: 33.237×10-24cm3; (11)Surface Tension: 53.075 dyne/cm; (12)Enthalpy of Vaporization: 74.135 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1c(Br)ccc2c1N(/C=C(\C2=O)C(=O)OCC)C3CC3
(2)InChI: InChI=1/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3
(3)InChIKey: ZVUUANRFLJIZGV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3
(5)Std. InChIKey: ZVUUANRFLJIZGV-UHFFFAOYSA-N