596845-47-5
8-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLIC ACID
Name8-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLIC ACID
1Identification
【Name】
8-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20925642
【English Synonyms】
【Formula】
C12 H8 F3 N O2
【MolWeight】
255.194
【Inchi】
InChI=1S/C12H8F3NO2/c1-6-3-2-4-7-8(12(13,14)15)5-9(11(17)18)16-10(6)7/h2-5H,1H3,(H,17,18)
【InChIKey】
InChIKey=BWUIJVNLLIZFGC-UHFFFAOYSA-N
【SMILES】
Cc1cccc2c1nc(cc2C(F)(F)F)C(=O)O
【MOL File】
8-METHYL-4-(TRIFLUOR….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
8-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLIC ACID.cml