| CAS Number | 1702698-94-9 |
| Catalog Number | AG01DYUI |
| Chemical Name | 3-Chloro-5-iodo-2-methylbenzoic acid |
| IUPAC Name | 3-chloro-5-iodo-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClIO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | OPQJPHAKHSUPCS-UHFFFAOYSA-N |
| MDL Number | MFCD31665436 |
| Molecular Formula | C8H6ClIO2 |
| Molecular Weight | 296.4895 |
| SMILES | ClC=1C(=C(C(=O)O)C=C(C1)I)C |
| Synonyms | 3-chloro-5-iodo-2-methylbenzoic acid,
1702698-94-9,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.488g/mol |
| Monoisotopic Mass | 295.91g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number