AC1NX8ZD
2,3,4,5-tetrabromo-6-[2-[2-[(2R,4R)-4-hydroxy-2-(hydroxymethyl)pentoxy]ethoxy]ethoxycarbonyl]benzoic acid
Also Known As: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-(2-(2-(2-(2-hydroxypropoxy)propoxy)ethoxy)ethyl) 2-(2-hydroxypropyl)ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 2-(2-(2-(2-hydroxypropoxy)propoxy)ethoxy)ethyl 2-hydroxypropyl ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-[2-[2-(2-hydroxypropoxy)propoxy]ethoxy]ethyl] 2-(2-hydroxypropyl)ester|2,3,4,5-tetrabromo-6-[2-[2-[(2R,4R)-4-hydroxy-2-(hydroxymethyl)pentoxy]ethoxy]ethoxycarbonyl]benzoic acid
| Molecular Formula | C18H22Br4O8 |
|---|---|
| Molecular Weight | 681.8048 g/mol |
| LogP | 4.0042 |
| Topological Polar Surface Area | 122.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 681.8048 |
| Monoisotopic Mass | 685.8007 |
| Heavy Atoms | 30 |
| Complexity | 741.63196 |
Chemical Identifiers
| CAS Number | 74113-75-0 |
|---|---|
| SMILES | C[C@H](C[C@H](CO)COCCOCCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)O |
Product Overview
AC1NX8ZD (CAS 74113-75-0), with molecular formula C18H22Br4O8 and molecular weight 681.8048 g/mol. IUPAC: 2,3,4,5-tetrabromo-6-[2-[2-[(2R,4R)-4-hydroxy-2-(hydroxymethyl)pentoxy]ethoxy]ethoxycarbonyl]benzoic acid.