| CAS Number | 598-89-0 |
| Catalog Number | AG00EFBK(AGN-PC-002KOR) |
| Chemical Name | Diiodoacetic acid |
| IUPAC Name | 2,2-diiodoacetic acid |
| InChI | InChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
| InChI Key | BQAMFNQVNXPFFH-UHFFFAOYSA-N |
| MDL Number | MFCD18379374 |
| Molecular Formula | C2H2I2O2 |
| Molecular Weight | 311.8450 |
| SMILES | OC(=O)C(I)I |
| Synonyms | Diiodoacetic acid,
598-89-0,
Diiodoethanoic acid,
Acetic acid, diiodo-,
2,2-Diiodoacetic Acid,
SCHEMBL2437229,
CTK1E6250,
DTXSID10564143,
LMFA01090136,
ZINC72399713,
AKOS030255453,
FT-0666876,
CHI2COOH,
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| Complexity | 60.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.814g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.845g/mol |
| Monoisotopic Mass | 311.814g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number