((5-(2-BROMOPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID

CAS No.
743439-42-1
CCD No.
CCD00493631
Formula
C17 H11 Br F3 N3 O2 S
MolWeight
458.257

Basic Information

Product Name: ((5-(2-BROMOPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
CAS: 743439-42-1
English Synonyms: ([5-(2-BROMOPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID ; 2-([5-(2-BROMOPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID ; ((5-(2-BROMOPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
MDL Number.: MFCD05262628
H bond acceptor: 5
H bond donor: 1
Smile: c1ccc(c(c1)c2nnc(n2c3cccc(c3)C(F)(F)F)SCC(=O)O)Br
InChi: InChI=1S/C17H11BrF3N3O2S/c18-13-7-2-1-6-12(13)15-22-23-16(27-9-14(25)26)24(15)11-5-3-4-10(8-11)17(19,20)21/h1-8H,9H2,(H,25,26)
InChiKey: InChIKey=MOMQDALGZORFQI-UHFFFAOYSA-N

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