| CAS Number | 1333394-28-7 |
| Catalog Number | AG009YI8(AGN-PC-0WCSI9) |
| Chemical Name | (3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO2/c13-11-7-10(12(15)16)4-3-9(11)8-14-5-1-2-6-14/h3-4,7,15-16H,1-2,5-6,8H2 |
| InChI Key | OIPNJXOFGDSWGK-UHFFFAOYSA-N |
| MDL Number | MFCD14687153 |
| Molecular Formula | C11H15BFNO2 |
| Molecular Weight | 223.0517 |
| SMILES | OB(O)C1=CC=C(CN2CCCC2)C(F)=C1 |
| Synonyms | 1333394-28-7,
3-fluoro-4-(pyrrolidin-1-ylmethyl)phenylboronic acid,
(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)boronic acid,
MFCD14687153,
AKOS010796967,
ZINC203199620,
AM86526,
AS-49580,
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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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