| CAS Number | 2096331-98-3 |
| Catalog Number | AG01EHKE |
| Chemical Name | 4-(1-Cyanocyclobutyl)-2-fluorophenylboronic acid |
| IUPAC Name | [4-(1-cyanocyclobutyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C11H11BFNO2/c13-10-6-8(2-3-9(10)12(15)16)11(7-14)4-1-5-11/h2-3,6,15-16H,1,4-5H2 |
| InChI Key | XPDWYYCENNLCPJ-UHFFFAOYSA-N |
| MDL Number | MFCD22375015 |
| Molecular Formula | C11H11BFNO2 |
| Molecular Weight | 219.0199 |
| SMILES | N#CC1(CCC1)c1ccc(c(c1)F)B(O)O |
| Synonyms | 4-(1-Cyanocyclobutyl)-2-fluorophenylboronic acid,
2096331-98-3,
(4-(1-Cyanocyclobutyl)-2-fluorophenyl)boronic acid,
MFCD22375015,
ZINC169978102,
Y2610,
B-9711,
C11H11BFNO2,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.022g/mol |
| Monoisotopic Mass | 219.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number