124432-69-5
2-HYDROXY-5-TRIFLUOROMETHYL-NICOTINONITRILE
Name2-HYDROXY-5-TRIFLUOROMETHYL-NICOTINONITRILE
1Identification
【Name】
2-HYDROXY-5-TRIFLUOROMETHYL-NICOTINONITRILE
【CAS】
【MDL】
MFCD09909905
【English Synonyms】
【Formula】
C7 H3 F3 N2 O
【MolWeight】
188.108
【Inchi】
InChI=1S/C7H3F3N2O/c8-7(9,10)5-1-4(2-11)6(13)12-3-5/h1,3H,(H,12,13)
【InChIKey】
InChIKey=CLWJQHAEFHSMBM-UHFFFAOYSA-N
【SMILES】
c1c(cnc(c1C#N)O)C(F)(F)F
【MOL File】
2-HYDROXY-5-TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-5-TRIFLUOROMETHYL-NICOTINONITRILE.cml