| CAS Number | 2096341-68-1 |
| Catalog Number | AG01EHIS |
| Chemical Name | 3-Bromo-5-chloro-2-methoxyphenylboronic acid |
| IUPAC Name | (3-bromo-5-chloro-2-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BBrClO3/c1-13-7-5(8(11)12)2-4(10)3-6(7)9/h2-3,11-12H,1H3 |
| InChI Key | RLBSHQKQVPRDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD19237166 |
| Molecular Formula | C7H7BBrClO3 |
| Molecular Weight | 265.2967 |
| SMILES | OB(C1=CC(Cl)=CC(Br)=C1OC)O |
| Synonyms | 3-Bromo-5-chloro-2-methoxyphenylboronic acid,
2096341-68-1,
(3-bromo-5-chloro-2-methoxyphenyl)boronic acid,
MFCD19237166,
ZINC169951591,
Y2483,
A-2839,
A-3932,
C7H7BBrClO3,
N/A,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.294g/mol |
| Monoisotopic Mass | 263.936g/mol |
| Rotatable Bond Count | 2 |
| 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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