| CAS Number | 2095165-22-1 |
| Catalog Number | AG01E7WX |
| Chemical Name | (3-((dimethylamino)methyl)-4-fluorophenyl)boronic acid hydrochloride |
| IUPAC Name | [3-[(dimethylamino)methyl]-4-fluorophenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C9H13BFNO2.ClH/c1-12(2)6-7-5-8(10(13)14)3-4-9(7)11;/h3-5,13-14H,6H2,1-2H3;1H |
| InChI Key | QAJRYJMSQXPSHZ-UHFFFAOYSA-N |
| MDL Number | MFCD29047253 |
| Molecular Formula | C9H14BClFNO2 |
| Molecular Weight | 233.4754 |
| SMILES | Cl.CN(CC1=C(F)C=CC(B(O)O)=C1)C |
| Synonyms | {3-[(dimethylamino)methyl]-4-fluorophenyl}boronic acid hydrochloride,
2095165-22-1,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.474g/mol |
| Monoisotopic Mass | 233.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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