13481-63-5
5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)PHENYL)-1H-TETRAZOLE
Name5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)PHENYL)-1H-TETRAZOLE
1Identification
【Name】
5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)PHENYL)-1H-TETRAZOLE
【CAS】
【MDL】
MFCD01682533
【English Synonyms】
【Formula】
C14 H10 F3 N5
【MolWeight】
305.262
【Inchi】
InChI=1S/C14H10F3N5/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13-19-21-22-20-13/h1-8,18H,(H,19,20,21,22)
【InChIKey】
InChIKey=JPEXITLSZOMSFC-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)c2[nH]nnn2)Nc3cccc(c3)C(F)(F)F
【MOL File】
5-(O-(ALPHA,ALPHA,AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)PHENYL)-1H-TETRAZOLE.cml