339024-06-5
5-CHLORO-6-OXO-1-[3-(TRIFLUOROMETHYL)BENZYL]-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
Name5-CHLORO-6-OXO-1-[3-(TRIFLUOROMETHYL)BENZYL]-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
5-CHLORO-6-OXO-1-[3-(TRIFLUOROMETHYL)BENZYL]-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00140108
【English Synonyms】
【Formula】
C14 H9 Cl F3 N O3
【MolWeight】
331.676
【Inchi】
InChI=1S/C14H9ClF3NO3/c15-11-5-9(13(21)22)7-19(12(11)20)6-8-2-1-3-10(4-8)14(16,17)18/h1-5,7H,6H2,(H,21,22)
【InChIKey】
InChIKey=JISPEGBVULHADZ-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)Cn2cc(cc(c2=O)Cl)C(=O)O
【MOL File】
5-CHLORO-6-OXO-1-[3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-6-OXO-1-[3-(TRIFLUOROMETHYL)BENZYL]-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID.cml