217487-47-3
4-[2-[4-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL]ETHYL]PHENOL
Name
4-[2-[4-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL]ETHYL]PHENOL
Formula
C16 H14 F N3 O S
MolWeight
315.371
1Identification
【Name】
4-[2-[4-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL]ETHYL]PHENOL
【CAS】
【MDL】
MFCD00115623
【English Synonyms】
【Formula】
C16 H14 F N3 O S
【MolWeight】
315.371
【Inchi】
InChI=1S/C16H14FN3OS/c17-12-4-6-13(7-5-12)20-15(18-19-16(20)22)10-3-11-1-8-14(21)9-2-11/h1-2,4-9,21H,3,10H2,(H,19,22)
【InChIKey】
InChIKey=CAQNCYJKSKYPSA-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CCc2nnc(n2c3ccc(cc3)F)S)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-[4-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL]ETHYL]PHENOL.cml
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