| CAS Number | 2096338-55-3 |
| Catalog Number | AG01EHNP |
| Chemical Name | 3-Bromo-5-phenoxyphenylboronic acid |
| IUPAC Name | (3-bromo-5-phenoxyphenyl)boronic acid |
| InChI | InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H |
| InChI Key | AMTOJYMQDUXNJR-UHFFFAOYSA-N |
| MDL Number | MFCD21332918 |
| Molecular Formula | C12H10BBrO3 |
| Molecular Weight | 292.9210 |
| SMILES | OB(C1=CC(OC2=CC=CC=C2)=CC(Br)=C1)O |
| Synonyms | 3-Bromo-5-phenoxyphenylboronic acid,
(3-Bromo-5-phenoxyphenyl)boronic acid,
2096338-55-3,
MFCD21332918,
ZINC169964610,
Y2490,
B-8951,
C12H10BBrO3,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.923g/mol |
| Monoisotopic Mass | 291.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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