| CAS Number | 1334173-41-9 |
| Catalog Number | AG01FFXJ(AGN-PC-3H4AHD) |
| Chemical Name | (2-Fluoro-5-(Pyrrolidin-1-Ylmethyl)Phenyl)Boronic Acid |
| IUPAC Name | [2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO2/c13-11-4-3-9(7-10(11)12(15)16)8-14-5-1-2-6-14/h3-4,7,15-16H,1-2,5-6,8H2 |
| InChI Key | HLWMXKJWFMWNGE-UHFFFAOYSA-N |
| MDL Number | MFCD14687155 |
| Molecular Formula | C11H15BFNO2 |
| Molecular Weight | 223.0517 |
| SMILES | OB(c1cc(ccc1F)CN1CCCC1)O |
| Synonyms | 1334173-41-9,
AKOS010797004,
AS-55483,
{2-fluoro-5-[(pyrrolidin-1-yl)methyl]phenyl}boronic acid,
Boronic acid, B-[2-fluoro-5-(1-pyrrolidinylmethyl)phenyl]-,
[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]boronic acid,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.054g/mol |
| Monoisotopic Mass | 223.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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