587886-19-9
METHYL 4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE
NameMETHYL 4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE
1Identification
【Name】
METHYL 4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD13195347
【English Synonyms】
【Formula】
C13 H9 Br F3 N O2
【MolWeight】
348.117
【Inchi】
InChI=1S/C13H9BrF3NO2/c1-2-20-12(19)9-10(14)7-5-3-4-6-8(7)18-11(9)13(15,16)17/h3-6H,2H2,1H3
【InChIKey】
InChIKey=IAPCVFQNXBQZBI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2ccccc2nc1C(F)(F)F)Br
【MOL File】
METHYL 4-BROMO-2-(TR….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
METHYL 4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE.cml