| CAS Number | 2056110-36-0 |
| Catalog Number | AG01BVE0 |
| Chemical Name | 6-Chloro-2-fluoro-3-iodobenzoic acid |
| IUPAC Name | 6-chloro-2-fluoro-3-iodobenzoic acid |
| InChI | InChI=1S/C7H3ClFIO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12) |
| InChI Key | NFKDAMRKDNRQTD-UHFFFAOYSA-N |
| MDL Number | MFCD30480177 |
| Molecular Formula | C7H3ClFIO2 |
| Molecular Weight | 300.4534 |
| SMILES | OC(C1=C(Cl)C=CC(I)=C1F)=O |
| Synonyms | 6-chloro-2-fluoro-3-iodobenzoic acid,
2056110-36-0,
AKOS034055987,
N/A,
|
| 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