| CAS Number | 2096338-43-9 |
| Catalog Number | AG01EHMC |
| Chemical Name | 5-(Cyclopropylaminomethyl)-2-fluorophenylboronic acid pinacol ester |
| IUPAC Name | N-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine |
| InChI | InChI=1S/C16H23BFNO2/c1-15(2)16(3,4)21-17(20-15)13-9-11(5-8-14(13)18)10-19-12-6-7-12/h5,8-9,12,19H,6-7,10H2,1-4H3 |
| InChI Key | SQQJLXGGSCDYOG-UHFFFAOYSA-N |
| MDL Number | MFCD18434459 |
| Molecular Formula | C16H23BFNO2 |
| Molecular Weight | 291.1687 |
| SMILES | FC1=CC=C(CNC2CC2)C=C1B3OC(C)(C)C(C)(C)O3 |
| Synonyms | 5-(cyclopropylaminomethyl)-2-fluorophenylboronic acid pinacol ester,
2096338-43-9,
N-(4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopropanamine,
MFCD18434459,
ZINC169936620,
A-3433,
N/A,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.173g/mol |
| Monoisotopic Mass | 291.181g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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