([4,5-BIS(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID

CAS No.
733031-06-6
CCD No.
CCD00473147
Formula
C16 H11 F2 N3 O2 S
MolWeight
347.344

Basic Information

Product Name: ([4,5-BIS(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
CAS: 733031-06-6
English Synonyms: ([4,5-BIS(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
MDL Number.: MFCD04635914
H bond acceptor: 5
H bond donor: 1
Smile: c1cc(ccc1c2nnc(n2c3ccc(cc3)F)SCC(=O)O)F
InChi: InChI=1S/C16H11F2N3O2S/c17-11-3-1-10(2-4-11)15-19-20-16(24-9-14(22)23)21(15)13-7-5-12(18)6-8-13/h1-8H,9H2,(H,22,23)
InChiKey: InChIKey=XPUIWOLBUFCGNH-UHFFFAOYSA-N

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