217812-07-2
METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)NICOTINATE
NameMETHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)NICOTINATE
1Identification
【Name】
METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)NICOTINATE
【CAS】
【MDL】
MFCD16611632
【English Synonyms】
【Formula】
C8 H6 F3 N O3
【MolWeight】
221.133
【Inchi】
InChI=1S/C8H6F3NO3/c1-15-7(14)5-4(8(9,10)11)2-3-12-6(5)13/h2-3H,1H3,(H,12,13)
【InChIKey】
InChIKey=YWYLKOOUXZUBQC-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(ccnc1O)C(F)(F)F
【MOL File】
METHYL 2-HYDROXY-4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)NICOTINATE.cml