| CAS Number | 2096335-62-3 |
| Catalog Number | AG01EHBH(AGN-PC-3H45H2) |
| Chemical Name | [3-Chloro-5-(2-methoxyethoxy)phenyl]boronic acid |
| IUPAC Name | [3-chloro-5-(2-methoxyethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C9H12BClO4/c1-14-2-3-15-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3 |
| InChI Key | OCOJVOYCEWLSKK-UHFFFAOYSA-N |
| MDL Number | MFCD21609544 |
| Molecular Formula | C9H12BClO4 |
| Molecular Weight | 230.4532 |
| SMILES | COCCOC1=CC(Cl)=CC(B(O)O)=C1 |
| Synonyms | [3-Chloro-5-(2-methoxyethoxy)phenyl]boronic acid,
2096335-62-3,
(3-Chloro-5-(2-methoxyethoxy)phenyl)boronic acid,
MFCD21609544,
AKOS027365652,
ZINC169964805,
V9985,
B-9004,
C9H12BClO4,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.451g/mol |
| Monoisotopic Mass | 230.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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