| CAS Number | 1704066-81-8 |
| Catalog Number | AG00ARL7(AGN-PC-0WCRKK) |
| Chemical Name | (3-((diethylamino)methyl)-5-fluorophenyl)boronic acid |
| IUPAC Name | [3-(diethylaminomethyl)-5-fluorophenyl]boronic acid |
| InChI | InChI=1S/C11H17BFNO2/c1-3-14(4-2)8-9-5-10(12(15)16)7-11(13)6-9/h5-7,15-16H,3-4,8H2,1-2H3 |
| InChI Key | SYUPANXFMFMRFG-UHFFFAOYSA-N |
| MDL Number | MFCD23751277 |
| Molecular Formula | C11H17BFNO2 |
| Molecular Weight | 225.0676 |
| SMILES | CCN(Cc1cc(F)cc(c1)B(O)O)CC |
| Synonyms | 3-((diethylamino)methyl)-5-fluorophenylboronic acid,
1704066-81-8,
(3-((diethylamino)methyl)-5-fluorophenyl)boronic acid,
MFCD23751277,
AKOS018267825,
ZINC211712651,
AM87868,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.07g/mol |
| Monoisotopic Mass | 225.134g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number