Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate 4,5-二氯-1H-吡咯-2-羧酸甲酯

CAS 1197-12-2 MFCD13193111

化学结构图

1197-12-2
SMILES: COC(=O)c1cc(Cl)c(Cl)[nH]1

化学属性

Mol. Weight194.02
Melting Point163-164 °C
Mol. FormulaC6H5Cl2NO2
Boiling Point324.6±37.0 °C at 760 mmHg

别名和识别编码

Chemical NameMethyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CAS Number1197-12-2
Alfabeta NameMETHYLDICHLOROPYRROLECARBOXYLATE H4512-----,
MDL NumberMFCD13193111
Chemical Name Translation4,5-二氯-1H-吡咯-2-羧酸甲酯
LabNetwork Molecule IDLN00003080
PubChem Substance ID11615336
InChIInChI=1S/C6H5Cl2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
Synonym methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4,5-dichloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} methyl
Canonical SMILESCOC(=O)C1=CC(=C(Cl)N1)Cl
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分类

  • {KO} ReacChlorides
  • {KO} Esters
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
H-bond Acceptors
2
Rotatable Bonds
2
LogP
1

系列性分类

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