| CAS Number | 959762-87-9 |
| Catalog Number | AG00IJPC |
| Chemical Name | 2,4-dichloro-5-iodobenzoic acid |
| IUPAC Name | 2,4-dichloro-5-iodobenzoic acid |
| InChI | InChI=1S/C7H3Cl2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChI Key | RVEQDEIBFPXXBJ-UHFFFAOYSA-N |
| MDL Number | MFCD24107210 |
| Molecular Formula | C7H3Cl2IO2 |
| Molecular Weight | 316.908 |
| SMILES | OC(C1=C(Cl)C=C(Cl)C(I)=C1)=O |
| Synonyms | 2,4-dichloro-5-iodobenzoic acid,
959762-87-9,
2,4-DICHLORO-5-IODO-BENZOIC ACID,
SCHEMBL2854043,
RVEQDEIBFPXXBJ-UHFFFAOYSA-N,
ZINC98209753,
AKOS020008483,
NE33320,
Z1895742226,
|
| 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