| CAS Number | 1344080-01-8 |
| Catalog Number | AG01A604(AGN-PC-0WO43X) |
| Chemical Name | 2-[(5-bromopyridin-3-yl)oxy]acetic acid |
| IUPAC Name | 2-(5-bromopyridin-3-yl)oxyacetic acid |
| InChI | InChI=1S/C7H6BrNO3/c8-5-1-6(3-9-2-5)12-4-7(10)11/h1-3H,4H2,(H,10,11) |
| InChI Key | MIKFGLOWRULNCW-UHFFFAOYSA-N |
| MDL Number | MFCD19594015 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | BrC=1C=C(C=NC1)OCC(=O)O |
| Synonyms | 2-[(5-bromopyridin-3-yl)oxy]acetic acid,
1344080-01-8,
2-((5-Bromopyridin-3-yl)oxy)acetic acid,
ZINC70536028,
AKOS013525390,
MCULE-6809951685,
NE47444,
Z1636723934,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number