898776-98-2
ETHYL 7-(4-BROMO-2-METHYLPHENYL)-7-OXOHEPTANOATE
NameETHYL 7-(4-BROMO-2-METHYLPHENYL)-7-OXOHEPTANOATE
1Identification
【Name】
ETHYL 7-(4-BROMO-2-METHYLPHENYL)-7-OXOHEPTANOATE
【CAS】
【MDL】
MFCD03844214
【English Synonyms】
【Formula】
C16 H21 Br O3
【MolWeight】
341.243
【Inchi】
InChI=1S/C16H21BrO3/c1-3-20-16(19)8-6-4-5-7-15(18)14-10-9-13(17)11-12(14)2/h9-11H,3-8H2,1-2H3
【InChIKey】
InChIKey=AWFIHPMSPJIFQT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCC(=O)c1ccc(cc1C)Br
【MOL File】
ETHYL 7-(4-BROMO-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 7-(4-BROMO-2-METHYLPHENYL)-7-OXOHEPTANOATE.cml