CAS No.96568-07-9,Ethyl 1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthylridine carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96568-07-9
Name:	Ethyl 1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthylridine carboxylate
Article Data:	2

Formula:	C₁₄H₁₂ClFN₂O₃
Molecular Weight:	310.712
Synonyms:	7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylicacid ethyl ester;1,8-naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester;Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate;Ethyl-7-chlor-1-cyclopropyl-6-fluor-4-oxo-1,4-dihydro-1,8-naphthyridin-3-carboxylate;
EINECS:	1533716-785-6
Density:	1.512 g/cm³
Boiling Point:	464.205 °C at 760 mmHg
Flash Point:	234.543 °C
PSA:	61.19000
LogP:	2.70060

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Specification

The 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number 96568-07-9, has the systematic name of ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate. And the molecular formula of this chemical is C₁₄H₁₂ClFN₂O₃.

The physical properties of 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester are as following: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 197; (8)ACD/KOC (pH 7.4): 197; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.5 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 72.166 cm³; (15)Molar Volume: 205.502 cm³; (16)Polarizability: 28.609 ×10^-24cm³; (17)Surface Tension: 64.486 dyne/cm; (18)Density: 1.512 g/cm³; (19)Flash Point: 234.543 °C; (20)Enthalpy of Vaporization: 72.558 kJ/mol; (21)Boiling Point: 464.205 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3c(Cl)nc1c(C(=O)\C(=C/N1C2CC2)C(=O)OCC)c3
(2)InChI: InChI=1/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3
(3)InChIKey: RWCZOVMOKFTUAD-UHFFFAOYAL