| CAS Number | 1507268-55-4 |
| Catalog Number | AG01BDER |
| Chemical Name | 3,4-dichloro-5-iodobenzoic acid |
| IUPAC Name | 3,4-dichloro-5-iodobenzoic acid |
| InChI | InChI=1S/C7H3Cl2IO2/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2H,(H,11,12) |
| InChI Key | YGUKCONYJCPJTI-UHFFFAOYSA-N |
| MDL Number | MFCD24107200 |
| Molecular Formula | C7H3Cl2IO2 |
| Molecular Weight | 316.9080 |
| SMILES | OC(C1=CC(I)=C(Cl)C(Cl)=C1)=O |
| Synonyms | 3,4-dichloro-5-iodobenzoic acid,
1507268-55-4,
ZINC97053966,
AKOS020007412,
NE50957,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.903g/mol |
| Monoisotopic Mass | 315.855g/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