| CAS Number | 1227593-20-5 |
| Catalog Number | AG01A3W0(AGN-PC-0WOBOC) |
| Chemical Name | 2-(5-Bromo-2-methoxypyridin-3-yl)acetic acid |
| IUPAC Name | 2-(5-bromo-2-methoxypyridin-3-yl)acetic acid |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8-5(3-7(11)12)2-6(9)4-10-8/h2,4H,3H2,1H3,(H,11,12) |
| InChI Key | IKNLMQJLSHPJMJ-UHFFFAOYSA-N |
| MDL Number | MFCD16609438 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC1=C(CC(O)=O)C=C(Br)C=N1 |
| Synonyms | 2-(5-bromo-2-methoxypyridin-3-yl)acetic acid,
1227593-20-5,
ZINC88613713,
AKOS023789385,
NE53487,
Z1889996025,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number