898776-90-4
ETHYL 8-(3-BROMO-4-METHYLPHENYL)-8-OXOOCTANOATE
NameETHYL 8-(3-BROMO-4-METHYLPHENYL)-8-OXOOCTANOATE
1Identification
【Name】
ETHYL 8-(3-BROMO-4-METHYLPHENYL)-8-OXOOCTANOATE
【CAS】
【MDL】
MFCD03844212
【English Synonyms】
【Formula】
C17 H23 Br O3
【MolWeight】
355.27
【Inchi】
InChI=1S/C17H23BrO3/c1-3-21-17(20)9-7-5-4-6-8-16(19)14-11-10-13(2)15(18)12-14/h10-12H,3-9H2,1-2H3
【InChIKey】
InChIKey=UDSKLKVXELFLEF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCCC(=O)c1ccc(c(c1)Br)C
【MOL File】
ETHYL 8-(3-BROMO-4-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 8-(3-BROMO-4-METHYLPHENYL)-8-OXOOCTANOATE.cml