| CAS Number | 1509204-33-4 |
| Catalog Number | AG01BD8D |
| Chemical Name | Methyl 5-bromo-4-fluoro-2-iodobenzoate |
| IUPAC Name | methyl 5-bromo-4-fluoro-2-iodobenzoate |
| InChI | InChI=1S/C8H5BrFIO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,1H3 |
| InChI Key | ZNHQZXYEMVYSOP-UHFFFAOYSA-N |
| MDL Number | MFCD24107125 |
| Molecular Formula | C8H5BrFIO2 |
| Molecular Weight | 358.9310 |
| SMILES | BrC=1C(=CC(=C(C(=O)OC)C1)I)F |
| Synonyms | methyl 5-bromo-4-fluoro-2-iodobenzoate,
1509204-33-4,
SCHEMBL20512567,
ZINC96300686,
AKOS020008472,
MCULE-8101077329,
NE22995,
Z1836338769,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.85g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.933g/mol |
| Monoisotopic Mass | 357.85g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number