| CAS Number | 1704063-89-7 |
| Catalog Number | AG00ARP3(AGN-PC-0WCRK5) |
| Chemical Name | (4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl)boronic acid |
| IUPAC Name | [4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO2/c13-11-4-3-10(12(15)16)7-9(11)8-14-5-1-2-6-14/h3-4,7,15-16H,1-2,5-6,8H2 |
| InChI Key | UHZIRXVQTSPFCW-UHFFFAOYSA-N |
| MDL Number | MFCD28384213 |
| Molecular Formula | C11H15BFNO2 |
| Molecular Weight | 223.0517 |
| SMILES | OB(C1=CC=C(F)C(CN2CCCC2)=C1)O |
| Synonyms | 1704063-89-7,
4-fluoro-3-(pyrrolidin-1-ylmethyl)phenylboronic acid,
(4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl)boronic acid,
MFCD28384213,
ZINC230527053,
AM87710,
AS-55345,
{4-fluoro-3-[(pyrrolidin-1-yl)methyl]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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