| CAS Number | 1829-22-7 |
| Catalog Number | AG00248B(AGN-PC-0KZ5FN) |
| Chemical Name | 2-Iodo-1,4-benzenedicarboxylic acid |
| IUPAC Name | 2-iodoterephthalic acid |
| InChI | InChI=1S/C8H5IO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | LUZKKRPROWYBLR-UHFFFAOYSA-N |
| MDL Number | MFCD00962043 |
| Molecular Formula | C8H5IO4 |
| Molecular Weight | 292.0274 |
| SMILES | c1cc(c(cc1C(=O)O)I)C(=O)O |
| Synonyms | 2-iodoterephthalic Acid,
1829-22-7,
2-IODOBENZENE-1,4-DICARBOXYLIC ACID,
AC1MWD3S,
SCHEMBL6645457,
CTK0G9505,
DTXSID20395526,
ZINC5426956,
MFCD00962043,
AKOS017547847,
AS06168,
CM13828,
1,4-Benzenedicarboxylic acid, 2-iodo-,
AS-33234,
FT-0707021,
2-iodoterephthalicacid,
CID3722188,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.028g/mol |
| Monoisotopic Mass | 291.923g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number