939377-13-6
2-PHENYL-4-TRIFLUOROMETHYL-OXAZOLE-5-CARBOXYLIC ACID
Name2-PHENYL-4-TRIFLUOROMETHYL-OXAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2-PHENYL-4-TRIFLUOROMETHYL-OXAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10000583
【English Synonyms】
【Formula】
C11 H6 F3 N O3
【MolWeight】
257.166
【Inchi】
InChI=1S/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)18-9(15-8)6-4-2-1-3-5-6/h1-5H,(H,16,17)
【InChIKey】
InChIKey=YCQANNGMRAJYEG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc(c(o2)C(=O)O)C(F)(F)F
【MOL File】
2-PHENYL-4-TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PHENYL-4-TRIFLUOROMETHYL-OXAZOLE-5-CARBOXYLIC ACID.cml