| CAS Number | 856106-63-3 |
| Catalog Number | AG01DIQJ(AGN-PC-0WQVPN) |
| Chemical Name | 2,4-Dihydroxy-5-iodobenzoic acid |
| IUPAC Name | 2,4-dihydroxy-5-iodobenzoic acid |
| InChI | InChI=1S/C7H5IO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12) |
| InChI Key | KIHIUNVBVKLJAL-UHFFFAOYSA-N |
| MDL Number | MFCD20257782 |
| Molecular Formula | C7H5IO4 |
| Molecular Weight | 280.0167 |
| SMILES | OC(=O)c1cc(I)c(O)cc1O |
| Synonyms | 2,4-dihydroxy-5-iodobenzoic acid,
856106-63-3,
SCHEMBL15829176,
MFCD20257782,
ZINC35051772,
1121-90-0,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.017g/mol |
| Monoisotopic Mass | 279.923g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number