864830-09-1
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(2-CHLORO-4-FLUOROPHENYL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
Name1(2H)-PYRIDINECARBOXYLIC ACID, 4-(2-CHLORO-4-FLUOROPHENYL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(2-CHLORO-4-FLUOROPHENYL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13192358
【English Synonyms】
【Formula】
C16 H19 Cl F N O2
【MolWeight】
311.782
【Inchi】
InChI=1S/C16H19ClFNO2/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)13-5-4-12(18)10-14(13)17/h4-6,10H,7-9H2,1-3H3
【InChIKey】
InChIKey=HQLAFHZLNMRNJU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccc(cc2Cl)F
【MOL File】
1(2H)-PYRIDINECARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(2-CHLORO-4-FLUOROPHENYL)-3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER.cml