4-羟基-8-(三氟甲基)喹啉-2-羧酸甲酯

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货号 (SKU)	包装规格	是否现货	价格	数量
M179095-25g	25g	期货

基本描述

英文别名	Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate \| F30811 \| 1065074-52-3 \| BS-25721 \| AKOS015856386 \| Methyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate \| methyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate \| DTXSID2067
规格或纯度	98%
英文名称	Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate
储存温度	室温
运输条件	常规运输

IUPAC Name	methyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate
INCHI	InChI=1S/C12H8F3NO3/c1-19-11(18)8-5-9(17)6-3-2-4-7(10(6)16-8)12(13,14)15/h2-5H,1H3,(H,16,17)
InChi Key	YQFLSLNXTHQDHJ-UHFFFAOYSA-N
Canonical SMILES	COC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F
Isomeric SMILES	COC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F
PubChem CID	46738876
分子量	271.2

分子量	271.190 g/mol
XLogP3	2.500
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	271.046 Da
单同位素质量Monoisotopic Mass	271.046 Da
拓扑极表面积Topological Polar Surface Area	55.400 Å²
重原子数Heavy Atom Count	19
形式电荷Formal Charge	0
复杂度Complexity	430.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1