794461-86-2
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Name2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11847903
【English Synonyms】
【Formula】
C12 H13 F3 N2 O2
【MolWeight】
274.241
【Inchi】
InChI=1S/C12H13F3N2O2/c1-2-19-11(18)8-5-7-3-4-16-6-9(7)17-10(8)12(13,14)15/h5,16H,2-4,6H2,1H3
【InChIKey】
InChIKey=HQUITAKYLCSYBG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2c(nc1C(F)(F)F)CNCC2
【MOL File】
2-TRIFLUOROMETHYL-5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER.cml