554423-29-9
[4-(4-BROMO-PHENYL)-2-PYRIDIN-3-YL-THIAZOL-5-YL]-ACETIC ACID
Name[4-(4-BROMO-PHENYL)-2-PYRIDIN-3-YL-THIAZOL-5-YL]-ACETIC ACID
FormulaC16 H11 Br N2 O2 S
1Identification
【Name】
[4-(4-BROMO-PHENYL)-2-PYRIDIN-3-YL-THIAZOL-5-YL]-ACETIC ACID
【CAS】
【MDL】
MFCD03980984
【English Synonyms】
【Formula】
C16 H11 Br N2 O2 S
【MolWeight】
375.245
【Inchi】
InChI=1S/C16H11BrN2O2S/c17-12-5-3-10(4-6-12)15-13(8-14(20)21)22-16(19-15)11-2-1-7-18-9-11/h1-7,9H,8H2,(H,20,21)
【InChIKey】
InChIKey=HAGYFDNSOBXZMZ-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)c2nc(c(s2)CC(=O)O)c3ccc(cc3)Br
【MOL File】
[4-(4-BROMO-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[4-(4-BROMO-PHENYL)-2-PYRIDIN-3-YL-THIAZOL-5-YL]-ACETIC ACID.cml