Chemical Component Summary

Name{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
Identifiers2-[5-chloranyl-2-[[2,3,4,5,6-pentakis(bromanyl)phenyl]methylcarbamoyl]phenoxy]ethanoic acid
FormulaC16 H9 Br5 Cl N O4
Molecular Weight714.22
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br
InChIInChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
InChIKeyQYSFXUVFRUYJCZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL4092708
PubChem 122174240
ChEMBL CHEMBL4092708