77978-86-0
METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
NameMETHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
1Identification
【Name】
METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00179171
【English Synonyms】
【Formula】
C10 H12 Cl N O4
【MolWeight】
245.661
【Inchi】
InChI=1S/C10H12ClNO4/c1-5-8(10(14)16-3)6(9(11)12-5)4-7(13)15-2/h12H,4H2,1-3H3
【InChIKey】
InChIKey=HYRGVAYMZCMMCF-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c([nH]1)Cl)CC(=O)OC)C(=O)OC
【MOL File】
METHYL 5-CHLORO-4-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE.cml