6-Bromo-1,3-Benzodioxole-5-Carbonitrile 6-溴-1,3-苯并二氧戊环-5-甲腈

CAS 6120-26-9 MFCD02571372

化学结构图

6120-26-9
SMILES: N#Cc1cc2c(cc1Br)OCO2

化学属性

Mol. FormulaC8H4BrNO2
Mol. Weight226.03
Melting Point103-108 °C

别名和识别编码

Chemical Name6-Bromo-1,3-Benzodioxole-5-Carbonitrile
CAS Number6120-26-9
Alfabeta NameBROMOBENZODIOXOLECARBONITRILE 6135-----,
MDL NumberMFCD02571372
Synonym 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Bromobenzo[d][1,3]dioxole-5-carb
Chemical Name Translation6-溴-1,3-苯并二氧戊环-5-甲腈
PubChem Substance ID2764398
LabNetwork Molecule IDLN00148003
InChIInChI=1S/C8H4BrNO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,4H2
Canonical SMILESC1=C(C#N)C(=CC2=C1OCO2)Br
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分类

  • {KO} ReacBromides
  • {KO} Nitriles
  • {SNA} Benzodioxanes, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
3
Rotatable Bonds
0
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzodioxanes 苯并二恶烷

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