| CAS Number | 2096338-80-4 |
| Catalog Number | AG01EHFJ |
| Chemical Name | 6-(3-Methoxyphenoxy)pyridine-3-boronic acid |
| IUPAC Name | [6-(3-methoxyphenoxy)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C12H12BNO4/c1-17-10-3-2-4-11(7-10)18-12-6-5-9(8-14-12)13(15)16/h2-8,15-16H,1H3 |
| InChI Key | FCZJZYPOHOACOG-UHFFFAOYSA-N |
| MDL Number | MFCD22375022 |
| Molecular Formula | C12H12BNO4 |
| Molecular Weight | 245.0390 |
| SMILES | OB(C1=CC=C(OC2=CC=CC(OC)=C2)N=C1)O |
| Synonyms | 6-(3-Methoxyphenoxy)pyridine-3-boronic acid,
2096338-80-4,
(6-(3-Methoxyphenoxy)pyridin-3-yl)boronic acid,
MFCD22375022,
AKOS027344557,
ZINC169978144,
Y2853,
B-9313,
C12H12BNO4,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.041g/mol |
| Monoisotopic Mass | 245.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number