596845-55-5
2-BROMO-7-FLUORO-4-(TRIFLUOROMETHYL)QUINOLINE-8-CARBOXYLIC ACID
Name2-BROMO-7-FLUORO-4-(TRIFLUOROMETHYL)QUINOLINE-8-CARBOXYLIC ACID
1Identification
【Name】
2-BROMO-7-FLUORO-4-(TRIFLUOROMETHYL)QUINOLINE-8-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20924616
【English Synonyms】
【Formula】
C11 H4 Br F4 N O2
【MolWeight】
338.054
【Inchi】
InChI=1S/C11H4BrF4NO2/c12-7-3-5(11(14,15)16)4-1-2-6(13)8(10(18)19)9(4)17-7/h1-3H,(H,18,19)
【InChIKey】
InChIKey=UCNWOGLDHXJPOW-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1c(cc(n2)Br)C(F)(F)F)C(=O)O)F
【MOL File】
2-BROMO-7-FLUORO-4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BROMO-7-FLUORO-4-(TRIFLUOROMETHYL)QUINOLINE-8-CARBOXYLIC ACID.cml