| CAS Number | 58835-85-1 |
| Catalog Number | AG01EL91 |
| Chemical Name | 4-[(5-bromopyridin-2-yl)oxy]benzoic acid |
| IUPAC Name | 4-(5-bromopyridin-2-yl)oxybenzoic acid |
| InChI | InChI=1S/C12H8BrNO3/c13-9-3-6-11(14-7-9)17-10-4-1-8(2-5-10)12(15)16/h1-7H,(H,15,16) |
| InChI Key | OGGQOULELPJGEK-UHFFFAOYSA-N |
| MDL Number | MFCD16385422 |
| Molecular Formula | C12H8BrNO3 |
| Molecular Weight | 294.1008 |
| SMILES | OC(C1=CC=C(OC2=NC=C(Br)C=C2)C=C1)=O |
| Synonyms | SCHEMBL6840298,
AKOS010654732,
4-[(5-BROMOPYRIDIN-2-YL)OXY]BENZOIC ACID,
58835-85-1,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.104g/mol |
| Monoisotopic Mass | 292.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number