587886-18-8
4-BROMO-8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
Name4-BROMO-8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
FormulaC11 H4 Br F3 I N O2
1Identification
【Name】
4-BROMO-8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20924614
【English Synonyms】
【Formula】
C11 H4 Br F3 I N O2
【MolWeight】
445.956
【Inchi】
InChI=1S/C11H4BrF3INO2/c12-7-4-2-1-3-5(16)8(4)17-9(11(13,14)15)6(7)10(18)19/h1-3H,(H,18,19)
【InChIKey】
InChIKey=ZDKUZFOQRAHQRC-UHFFFAOYSA-N
【SMILES】
c1cc2c(c(c1)I)nc(c(c2Br)C(=O)O)C(F)(F)F
【MOL File】
4-BROMO-8-IODO-2-(TR….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
4-BROMO-8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID.cml