731003-81-9
2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE
Name2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE
1Identification
【Name】
2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE
【CAS】
【MDL】
MFCD04625518
【English Synonyms】
【Formula】
C16 H16 Cl N O3
【MolWeight】
305.759
【Inchi】
InChI=1S/C16H16ClNO3/c1-10-7-13(14(19)9-17)11(2)18(10)12-3-4-15-16(8-12)21-6-5-20-15/h3-4,7-8H,5-6,9H2,1-2H3
【InChIKey】
InChIKey=MEJKHNWAWMQUFC-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)CCl
【MOL File】
2-CHLORO-1-[1-(2,3-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE.cml