6,7,8-Trifluoro-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
한글명:6,7,8-Trifluoro-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
카스 번호100276-65-1
상품명:6,7,8-Trifluoro-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
CBNumberCB83062740
분자식C14H11F3N2O4
포뮬러 무게328.24
MOL 파일100276-65-1.mol
화학적 성질
끓는 점 | 429.5±55.0 °C(Predicted) |
밀도 | 1.49±0.1 g/cm3(Predicted) |
산도 계수 (pKa) | -7.13±0.40(Predicted) |
InChI | InChI=1S/C14H11F3N2O4/c1-3-23-14(22)8-5-19(18(2)6-20)12-7(13(8)21)4-9(15)10(16)11(12)17/h4-6H,3H2,1-2H3 |
InChIKey | IABQCXKNOGCUPS-UHFFFAOYSA-N |
SMILES | N1(N(C=O)C)C2=C(C=C(F)C(F)=C2F)C(=O)C(C(OCC)=O)=C1 |