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名称

杂环砌块

分子类型

小分子

英文别名

4-(4-nitrophenyl)-2,6-dipyridin-2-ylpyridine

英文名称

4'-(4-Nitrophenyl)-2,2':6',2''-terpyridine

货号

B299826-1g

包装规格

浓度

≥97%

储存温度

2-8°C储存,充氩

运输条件

常规运输

CAS号

129077-51-6

分子式

C21H14N4O2

分子量

354.36 g/mol

PubChem编号

991891

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

IIUPAC Name

4-(4-nitrophenyl)-2,6-dipyridin-2-ylpyridine

INCHI

1S/C21H14N4O2/c26-25(27)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14H

InChi Key

SLAKPUZCHMXDSL-UHFFFAOYSA-N

Smiles

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

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

354.112 Da

单同位素质量Monoisotopic Mass

354.112 Da

拓扑极表面积Topological Polar Surface Area

84.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

463.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.600

密度

1.28g/cm³

闪点(℃)

278ºC

沸点

536.1ºC at 760 mmHg

Reaxy-Rn

6155060

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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