(2-(Bromomethyl)-4-fluorophenyl)boronic acid
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CAS Number 850568-01-3
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Catalog Number io-406829
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Molecular Weight 232.8400
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SMILES B(C1=C(C=C(C=C1)F)CBr)(O)O
| Size | QTY | Notes | |
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| 1 | (2-(Bromomethyl)-4-fluorophenyl)boronic acid |
| 2 | 2-Bromomethyl-4-fluorophenylboronic acid |
| 3 | [2-(bromomethyl)-4-fluorophenyl]boronic acid |
| 4 | 2-(Bromomethyl)-4-fluorobenzeneboronic acid |
| 5 | 2-Bromomethyl-4-fluorobenzeneboronic acid |
| Molecular Formula | C7H7BBrFO2 |
|---|---|
| Canonical SMILES | B(C1=C(C=C(C=C1)F)CBr)(O)O |
| Isomeric SMILES | B(C1=C(C=C(C=C1)F)CBr)(O)O |
| Molecular Weight | 232.8400 |
| InChIKey | SAHGEZUSQVBFDM-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2 |
| XLogP | 0.0000 |
| ExactMass | 231.9707 |
| MonoisotopicMass | 231.9707 |
| TPSA | 40.5000 |
| Complexity | 147.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3 |
| PatentFamilyCount | 1 |
| LiteratureCount | 0 |
