577967-76-1
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
Name2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
pro_formulaC13 H8 F3 N O3
1Identification
【Name】
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID
【CAS】
【MDL】
MFCD18318044
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H8 F3 N O3
【pro_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
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-HYDROXY-5-(4-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID.cml