| CAS Number | 289044-48-0 |
| Catalog Number | AG01AHJL |
| Chemical Name | 4-[(5-Chloropyridin-2-yl)oxy]benzoic acid |
| IUPAC Name | 4-(5-chloropyridin-2-yl)oxybenzoic acid |
| InChI | InChI=1S/C12H8ClNO3/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 | YLGCYYLGIDUOMC-UHFFFAOYSA-N |
| MDL Number | MFCD13480743 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | Clc1ccc(nc1)Oc1ccc(cc1)C(=O)O |
| Synonyms | 4-[(5-chloropyridin-2-yl)oxy]benzoic acid,
289044-48-0,
SCHEMBL6840382,
ZINC44381560,
AKOS010654731,
MCULE-3898285423,
NE54312,
EN300-74945,
Z1259335813,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019g/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
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