| CAS Number | 612845-45-1 |
| Catalog Number | AG00EKOU(AGN-PC-086FA1) |
| Chemical Name | (3-Bromo-5-methoxypyridin-4-yl)boronic acid |
| IUPAC Name | (3-bromo-5-methoxypyridin-4-yl)boronic acid |
| InChI | InChI=1S/C6H7BBrNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3,10-11H,1H3 |
| InChI Key | OXIFBQMTJUAUNR-UHFFFAOYSA-N |
| MDL Number | MFCD11040271 |
| Molecular Formula | C6H7BBrNO3 |
| Molecular Weight | 231.8397 |
| SMILES | COc1cncc(c1B(O)O)Br |
| Synonyms | 612845-45-1,
3-BROMO-5-METHOXYPYRIDINE-4-BORONIC ACID,
(3-Bromo-5-methoxypyridin-4-yl)boronic acid,
(3-BROMO-5-METHOXY-4-PYRIDINYL)-BORONIC ACID,
ACMC-1BG5Z,
(3-Bromo-5-methoxy-4-pyridinyl)boronic acid,
CTK5B2991,
DTXSID90678196,
ANW-33756,
MFCD11040271,
AKOS015834970,
ZINC169917347,
FCH1401534,
OR360793,
3-broMo-5-Methoxypyridin-4-ylboronic acid,
TR-037276,
X0902,
A-4703,
I02-3094,
BORONICACID,
C6H7BBrNO3,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.84g/mol |
| Monoisotopic Mass | 230.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number