578749-48-1
4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name
4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C15 H9 Cl F N5 O2 S
MolWeight
377.786
1Identification
【Name】
4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04024641
【English Synonyms】
【Formula】
C15 H9 Cl F N5 O2 S
【MolWeight】
377.786
【Inchi】
InChI=1S/C15H9ClFN5O2S/c16-12-6-5-10(22(23)24)7-9(12)8-18-21-14(19-20-15(21)25)11-3-1-2-4-13(11)17/h1-8H,(H,20,25)/b18-8+
【InChIKey】
InChIKey=OGGMVMOIEXUGRA-QGMBQPNBSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2/N=C/c3cc(ccc3Cl)[N+](=O)[O-])S)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml
Quick Release
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Sigma-Aldrich Corporation
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Catalog No:L466417-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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