| CAS Number | 1541309-67-4 |
| Catalog Number | AG00OFEK(AGN-PC-3H4589) |
| Chemical Name | 3-Bromo-5-chloro-4-iodobenzoic acid |
| IUPAC Name | 3-bromo-5-chloro-4-iodobenzoic acid |
| InChI | InChI=1S/C7H3BrClIO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChI Key | RSRMULSKFRYECX-UHFFFAOYSA-N |
| MDL Number | MFCD24108573 |
| Molecular Formula | C7H3BrClIO2 |
| Molecular Weight | 361.3590 |
| SMILES | c1c(cc(c(c1Cl)I)Br)C(=O)O |
| Synonyms | 3-Bromo-5-chloro-4-iodobenzoic acid,
1541309-67-4,
AKOS020024500,
ZINC162580379,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.805g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.357g/mol |
| Monoisotopic Mass | 359.805g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number