| CAS Number | 316808-10-3 |
| Catalog Number | AG007IRH(AGN-PC-0KWQM9) |
| Chemical Name | 2,6-Pyridinedicarboxylic acid, 3-bromo- |
| IUPAC Name | 3-bromopyridine-2,6-dicarboxylic acid |
| InChI | InChI=1S/C7H4BrNO4/c8-3-1-2-4(6(10)11)9-5(3)7(12)13/h1-2H,(H,10,11)(H,12,13) |
| InChI Key | IKHJUSWVJKICAT-UHFFFAOYSA-N |
| MDL Number | MFCD05981978 |
| Molecular Formula | C7H4BrNO4 |
| Molecular Weight | 246.0150 |
| SMILES | OC(=O)c1ccc(c(n1)C(=O)O)Br |
| Synonyms | 3-bromopyridine-2,6-dicarboxylic Acid,
316808-10-3,
2,6-Pyridinedicarboxylic acid, 3-bromo-,
AC1MRYJS,
SCHEMBL3648082,
CTK1B2697,
DTXSID90393796,
ZINC6472775,
MFCD05981978,
FCH1376962,
ACM316808103,
AS-43547,
SC-33516,
DB-082207,
FT-0758628,
CID3575825,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.016g/mol |
| Monoisotopic Mass | 244.932g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number