5462-34-0
DIETHYL 5-IODO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
NameDIETHYL 5-IODO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
1Identification
【Name】
DIETHYL 5-IODO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
【CAS】
【MDL】
MFCD00559948
【English Synonyms】
【Formula】
C11 H14 I N O4
【MolWeight】
351.135
【Inchi】
InChI=1S/C11H14INO4/c1-4-16-10(14)7-6(3)8(13-9(7)12)11(15)17-5-2/h13H,4-5H2,1-3H3
【InChIKey】
InChIKey=BMCURYWANJEZHT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c([nH]c1I)C(=O)OCC)C
【MOL File】
DIETHYL 5-IODO-3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 5-IODO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE.cml