Methyl 4-chloro-1H-pyrrole-2-carboxylate 4-氯-1H-吡咯-2-羧酸甲酯

CAS 1194-96-3 MFCD11176523

化学结构图

1194-96-3
SMILES: COC(=O)c1cc(Cl)c[nH]1

化学属性

Mol. FormulaC6H6ClNO2
Mol. Weight159.57
Melting Point100-101 °C
Boiling Point278.2±20.0 °C at 760 mmHg

别名和识别编码

Chemical NameMethyl 4-Chloro-1H-Pyrrole-2-Carboxylate
CAS Number1194-96-3
Alfabeta NameMETHYLCHLOROPYRROLECARBOXYLATE H412-----
MDL NumberMFCD11176523
Chemical Name Translation4-氯-1H-吡咯-2-羧酸甲酯
LabNetwork Molecule IDLN00151947
PubChem Substance ID11829727
InChIInChI=1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
Synonym methyl 4-chloro-1H-pyrrole-2-carboxylate {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} methyl 4-chloro-1H-pyrrole-2-carbo
Canonical SMILESCOC(=O)C1=CC(=CN1)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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements

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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