725710-55-4
2-CHLORO-1-[2,5-DIMETHYL-1-(OXOLAN-2-YLMETHYL)-1H-PYRROL-3-YL]ETHAN-1-ONE
Name2-CHLORO-1-[2,5-DIMETHYL-1-(OXOLAN-2-YLMETHYL)-1H-PYRROL-3-YL]ETHAN-1-ONE
1Identification
【Name】
2-CHLORO-1-[2,5-DIMETHYL-1-(OXOLAN-2-YLMETHYL)-1H-PYRROL-3-YL]ETHAN-1-ONE
【CAS】
【MDL】
MFCD03961617
【English Synonyms】
【Formula】
C13 H18 Cl N O2
【MolWeight】
255.743
【Inchi】
InChI=1S/C13H18ClNO2/c1-9-6-12(13(16)7-14)10(2)15(9)8-11-4-3-5-17-11/h6,11H,3-5,7-8H2,1-2H3
【InChIKey】
InChIKey=RONLMOPBVPHVIE-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1CC2CCCO2)C)C(=O)CCl
【MOL File】
2-CHLORO-1-[2,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-[2,5-DIMETHYL-1-(OXOLAN-2-YLMETHYL)-1H-PYRROL-3-YL]ETHAN-1-ONE.cml