587886-05-3
8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID
Name8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID
1Identification
【Name】
8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20925559
【English Synonyms】
【Formula】
C11 H5 F3 I N O2
【MolWeight】
367.06
【Inchi】
InChI=1S/C11H5F3INO2/c12-11(13,14)8-4-6(10(17)18)5-2-1-3-7(15)9(5)16-8/h1-4H,(H,17,18)
【InChIKey】
InChIKey=VKPJCDGIAHILNT-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc(nc2c(c1)I)C(F)(F)F)C(=O)O
【MOL File】
8-IODO-2-(TRIFLUOROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-IODO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID.cml