587886-38-2
4-FORMYL-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
Name4-FORMYL-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
4-FORMYL-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20925459
【English Synonyms】
【Formula】
C13 H5 F6 N O4
【MolWeight】
353.173
【Inchi】
InChI=1S/C13H5F6NO4/c14-12(15,16)10-9(11(22)23)7(4-21)6-3-5(24-13(17,18)19)1-2-8(6)20-10/h1-4H,(H,22,23)
【InChIKey】
InChIKey=OMWCADXZLQWOPD-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1OC(F)(F)F)c(c(c(n2)C(F)(F)F)C(=O)O)C=O
【MOL File】
4-FORMYL-6-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-FORMYL-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID.cml