| CAS Number | 1521585-65-8 |
| Catalog Number | AG01FHEY(AGN-PC-3H4AOG) |
| Chemical Name | 4-bromo-2-fluoro-5-iodobenzoic acid |
| IUPAC Name | 4-bromo-2-fluoro-5-iodobenzoic acid |
| InChI | InChI=1S/C7H3BrFIO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12) |
| InChI Key | QFENAFBNTYORBR-UHFFFAOYSA-N |
| MDL Number | MFCD24107175 |
| Molecular Formula | C7H3BrFIO2 |
| Molecular Weight | 344.9044 |
| SMILES | OC(=O)C1=C(F)C=C(Br)C(I)=C1 |
| Synonyms | 4-bromo-2-fluoro-5-iodobenzoic acid,
1521585-65-8,
SCHEMBL16618333,
QFENAFBNTYORBR-UHFFFAOYSA-N,
MFCD24107175,
AKOS020007841,
ZINC162572297,
PS-10143,
A1-08007,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.835g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.906g/mol |
| Monoisotopic Mass | 343.835g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number