898776-96-0
ETHYL 6-(4-BROMO-2-METHYLPHENYL)-6-OXOHEXANOATE
NameETHYL 6-(4-BROMO-2-METHYLPHENYL)-6-OXOHEXANOATE
1Identification
【Name】
ETHYL 6-(4-BROMO-2-METHYLPHENYL)-6-OXOHEXANOATE
【CAS】
【MDL】
MFCD03844213
【English Synonyms】
【Formula】
C15 H19 Br O3
【MolWeight】
327.216
【Inchi】
InChI=1S/C15H19BrO3/c1-3-19-15(18)7-5-4-6-14(17)13-9-8-12(16)10-11(13)2/h8-10H,3-7H2,1-2H3
【InChIKey】
InChIKey=OVUXRVQDRFBQCF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1ccc(cc1C)Br
【MOL File】
ETHYL 6-(4-BROMO-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-(4-BROMO-2-METHYLPHENYL)-6-OXOHEXANOATE.cml