168267-11-6
2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-BENZALDEHYDE
Name2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-BENZALDEHYDE
1Identification
【Name】
2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-BENZALDEHYDE
【CAS】
【MDL】
MFCD03093356
【English Synonyms】
【Formula】
C10 H7 F3 N4 O2
【MolWeight】
272.185
【Inchi】
InChI=1S/C10H7F3N4O2/c1-19-8-3-2-7(4-6(8)5-18)17-9(10(11,12)13)14-15-16-17/h2-5H,1H3
【InChIKey】
InChIKey=YQNRPEFJKQVSNX-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1C=O)n2c(nnn2)C(F)(F)F
【MOL File】
2-METHOXY-5-(5-TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-BENZALDEHYDE.cml