| CAS Number | 2096329-53-0 |
| Catalog Number | AG01EHHK |
| Chemical Name | 4-Bromo-2-ethoxyphenylboronic acid |
| IUPAC Name | (4-bromo-2-ethoxyphenyl)boronic acid |
| InChI | InChI=1S/C8H10BBrO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,11-12H,2H2,1H3 |
| InChI Key | NDXNHLXMUMYKTN-UHFFFAOYSA-N |
| MDL Number | MFCD21609537 |
| Molecular Formula | C8H10BBrO3 |
| Molecular Weight | 244.8782 |
| SMILES | CCOc1cc(Br)ccc1B(O)O |
| Synonyms | 4-Bromo-2-ethoxyphenylboronic acid,
2096329-53-0,
(4-Bromo-2-ethoxyphenyl)boronic acid,
MFCD21609537,
ZINC169964781,
Y2699,
B-9307,
C8H10BBrO3,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.879g/mol |
| Monoisotopic Mass | 243.991g/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
Lot Number