| CAS Number | 1261680-97-0 |
| Catalog Number | AG000RYA(AGN-PC-0WR1X1) |
| Chemical Name | 2-Bromo-5-iodophenylacetic acid |
| IUPAC Name | 2-(2-bromo-5-iodophenyl)acetic acid |
| InChI | InChI=1S/C8H6BrIO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | WHMODYPOLXKNLQ-UHFFFAOYSA-N |
| MDL Number | MFCD18391762 |
| Molecular Formula | C8H6BrIO2 |
| Molecular Weight | 340.9405 |
| SMILES | OC(CC1=C(Br)C=CC(I)=C1)=O |
| Synonyms | 2-(2-bromo-5-iodophenyl)acetic acid,
2-Bromo-5-iodophenylacetic acid,
1261680-97-0,
(2-bromo-5-iodophenyl)acetic acid,
MFCD18391762,
ZINC98210738,
Benzeneacetic acid, 2-bromo-5-iodo-,
AKOS027354306,
FCH1370067,
OR400042,
PS-11672,
AS-813/43501551,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.942g/mol |
| Monoisotopic Mass | 339.86g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number