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Product details

名称

有机砌块

分子类型

小分子

英文名称

2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile

货号

C588288-100mg

包装规格

100mg

浓度

≥98%

储存温度

干燥

运输条件

常规运输

CAS号

2311888-44-3

分子式

C30H21N3

分子量

423.5 g/mol

EC号

PubChem SID: 504773589

PubChem编号

145712123

IIUPAC Name

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile

INCHI

1S/C30H21N3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-12,19-21H,13-15H2

InChi Key

IZBDPTLGINUZJG-UHFFFAOYSA-N

Smiles

C1=CC(=CC=C1CC#N)C2=CC(=CC(=C2)C3=CC=C(C=C3)CC#N)C4=CC=C(C=C4)CC#N

PubChem SID

504773589

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

423.174 Da

单同位素质量Monoisotopic Mass

423.174 Da

拓扑极表面积Topological Polar Surface Area

71.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

633.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.800

Reaxy-Rn

34434589

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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