| CAS Number | 2096331-62-1 |
| Catalog Number | AG01EIIP |
| Chemical Name | 4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid, HCl |
| IUPAC Name | [4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C10H13BFNO2.ClH/c12-10-5-7(6-13-8-2-3-8)1-4-9(10)11(14)15;/h1,4-5,8,13-15H,2-3,6H2;1H |
| InChI Key | SFYJPFZWNWOVJS-UHFFFAOYSA-N |
| MDL Number | MFCD19684106 |
| Molecular Formula | C10H14BClFNO2 |
| Molecular Weight | 245.4861 |
| SMILES | OB(c1ccc(cc1F)CNC1CC1)O.Cl |
| Synonyms | 4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid, HCl,
2096331-62-1,
(4-((Cyclopropylamino)methyl)-2-fluorophenyl)boronic acid hydrochloride,
MFCD19684106,
A-2683,
4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid hydrochloride,
N/A,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.485g/mol |
| Monoisotopic Mass | 245.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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