| CAS Number | 64385-02-0 |
| Catalog Number | AG01FPGS(AGN-PC-0NI9CT) |
| Chemical Name | 2,3,4,5,6-pentaiodobenzoic acid |
| IUPAC Name | 2,3,4,5,6-pentaiodobenzoic acid |
| InChI | InChI=1S/C7HI5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) |
| InChI Key | LNLWJOZRHQPFML-UHFFFAOYSA-N |
| MDL Number | MFCD30533929 |
| Molecular Formula | C7HI5O2 |
| Molecular Weight | 751.6040 |
| SMILES | IC1=C(C(=O)O)C(=C(C(=C1I)I)I)I |
| Synonyms | pentaiodobenzoic acid,
64385-02-0,
SCHEMBL1859003,
AS-60461,
InChI=1/C7HI5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14,
Benzoicacid,pentaiodo-,
Benzoic acid, pentaiodo-,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 751.52g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 751.6g/mol |
| Monoisotopic Mass | 751.52g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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