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名称

6-氯-4-(三氟甲基)烟酸

别名

4-三氟甲基-6-氯烟酸

英文别名

英文名称

6-Chloro-4-(trifluoromethyl)nicotinic acid

货号

C192388-250mg

包装规格

250mg

浓度

≥98%

储存温度

2-8°C储存,充氩

运输条件

冰袋运输

CAS号

261635-77-2

分子式

C7H3ClF3NO2

分子量

225.55 g/mol

PubChem编号

2783382

Isomeric SMILES

C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F

IIUPAC Name

6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid

INCHI

1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14)

InChi Key

BULUOEXUXOKCIG-UHFFFAOYSA-N

Smiles

C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

224.98 Da

单同位素质量Monoisotopic Mass

224.98 Da

拓扑极表面积Topological Polar Surface Area

50.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

233

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.2

Reaxy-Rn

9909290

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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