| CAS Number | 2096335-87-2 |
| Catalog Number | AG01EHQU |
| Chemical Name | 4-Fluoro-2-(N-cyclopropylaminomethyl)phenylboronic acid pinacol ester, HCl |
| IUPAC Name | N-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine;hydrochloride |
| InChI | InChI=1S/C16H23BFNO2.ClH/c1-15(2)16(3,4)21-17(20-15)14-8-5-12(18)9-11(14)10-19-13-6-7-13;/h5,8-9,13,19H,6-7,10H2,1-4H3;1H |
| InChI Key | KRRDUHJHKWCNBZ-UHFFFAOYSA-N |
| MDL Number | MFCD20529515 |
| Molecular Formula | C16H24BClFNO2 |
| Molecular Weight | 327.6297 |
| SMILES | Fc1ccc(c(c1)CNC1CC1)B1OC(C(O1)(C)C)(C)C.Cl |
| Synonyms | 4-FLUORO-2-(N-CYCLOPROPYLAMINOMETHYL)PHENYLBORONIC ACID PINACOL ESTER, HCL,
2096335-87-2,
N-(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopropanamine hydrochloride,
KM4106,
MFCD20529515,
AKOS027341935,
4-Fluoro-2-(N-cyclopropylaminomethyl)phenylboronic acid pinacol ester hydrochloride,
N/A,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.631g/mol |
| Monoisotopic Mass | 327.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number