5-Nitrobenzo[B]Thiophene-2-Carboxylic Acid 5-硝基-1-苯并噻吩-2-羧酸

CAS 6345-55-7 MFCD01159700

化学结构图

6345-55-7
SMILES: O=C(O)c1cc2cc([N+](=O)[O-])ccc2s1

化学属性

Mol. FormulaC9H5NO4S
Mol. Weight223.21
Melting Point239-241°C
Boiling Point473.6±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name5-Nitrobenzo[B]Thiophene-2-Carboxylic Acid
CAS Number6345-55-7
Alfabeta NameNITROBENZOTHIOPHENECARBOXYLICACID 512-----
MDL NumberMFCD01159700
Chemical Name Translation5-硝基-1-苯并噻吩-2-羧酸
PubChem Substance ID238939
InChIInChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
LabNetwork Molecule IDLN00148202
Synonym 5-Nitrobenzo[b]thiophene-2-carboxylic acid {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxy
Canonical SMILESO=C(C1=CC2=CC([N+]([O-])=O)=CC=C2S1)O
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分类

  • {KO} Nitros
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类


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