577967-76-1
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
Name2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
1Identification
【Name】
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
【CAS】
【MDL】
MFCD18318044
【English Synonyms】
【Formula】
C13 H8 F3 N O3
【MolWeight】
283.204
【Inchi】
InChI=1S/C13H8F3NO3/c14-13(15,16)9-3-1-7(2-4-9)8-5-10(12(19)20)11(18)17-6-8/h1-6H,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=PFRXFCDETPFONF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cc(c(nc2)O)C(=O)O)C(F)(F)F
【MOL File】
2-HYDROXY-5-(4-TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID.cml