| CAS Number | 1269448-25-0 |
| Catalog Number | AG01BVDZ |
| Chemical Name | 2-Chloro-6-fluoro-3-iodobenzoic acid |
| IUPAC Name | 2-chloro-6-fluoro-3-iodobenzoic acid |
| InChI | InChI=1S/C7H3ClFIO2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12) |
| InChI Key | XTZCQKSICWVALD-UHFFFAOYSA-N |
| MDL Number | MFCD18452151 |
| Molecular Formula | C7H3ClFIO2 |
| Molecular Weight | 300.4534 |
| SMILES | OC(C1=C(Cl)C(I)=CC=C1F)=O |
| Synonyms | 2-chloro-6-fluoro-3-iodobenzoic acid,
1269448-25-0,
ZINC72233149,
AKOS015969357,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.452g/mol |
| Monoisotopic Mass | 299.885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number