| CAS Number | 2096341-54-5 |
| Catalog Number | AG01EHB4(AGN-PC-3H45GG) |
| Chemical Name | 3-(1-Cyanocyclopropyl)-2-fluorophenylboronic acid |
| IUPAC Name | [3-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C10H9BFNO2/c12-9-7(10(6-13)4-5-10)2-1-3-8(9)11(14)15/h1-3,14-15H,4-5H2 |
| InChI Key | BRQZJOXEWXYOFH-UHFFFAOYSA-N |
| MDL Number | MFCD21609528 |
| Molecular Formula | C10H9BFNO2 |
| Molecular Weight | 204.9934 |
| SMILES | OB(C1=CC=CC(C2(C#N)CC2)=C1F)O |
| Synonyms | 3-(1-Cyanocyclopropyl)-2-fluorophenylboronic acid,
2096341-54-5,
(3-(1-Cyanocyclopropyl)-2-fluorophenyl)boronic acid,
MFCD21609528,
AKOS027367192,
ZINC169964751,
Y2382,
B-9511,
C10H9BFNO2,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.995g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number