(2-(Aminomethyl)-5-fluorophenyl)boronic acid hydrochloride
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CAS Number 850568-03-5
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Catalog Number io-406828
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Molecular Weight 205.4200
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SMILES B(C1=C(C=CC(=C1)F)CN)(O)O.Cl
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No description available for this item
| 1 | (2-(Aminomethyl)-5-fluorophenyl)boronic acid hydrochloride |
| 2 | 2-Aminomethyl-5-fluorophenylboronic acid, HCl |
| 3 | [2-(aminomethyl)-5-fluorophenyl]boronic acid;hydrochloride |
| 4 | (2-AMINOMETHYL-5-FLUORO)PHENYLBORONIC ACID HYDROCHLORIDE |
| 5 | 2-Aminomethyl-5-fluorophenylboronic acid hydrochloride |
| Molecular Formula | C7H10BClFNO2 |
|---|---|
| Canonical SMILES | B(C1=C(C=CC(=C1)F)CN)(O)O.Cl |
| Isomeric SMILES | B(C1=C(C=CC(=C1)F)CN)(O)O.Cl |
| Molecular Weight | 205.4200 |
| InChIKey | URBGTEWFXWJWPS-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H9BFNO2.ClH/c9-6-2-1-5(4-10)7(3-6)8(11)12;/h1-3,11-12H,4,10H2;1H |
| XLogP | 0.0000 |
| ExactMass | 205.0477 |
| MonoisotopicMass | 205.0477 |
| TPSA | 66.5000 |
| Complexity | 147.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 14 |
| PatentFamilyCount | 4 |
| LiteratureCount | 0 |
