| CAS Number | 1451391-88-0 |
| Catalog Number | AG01B6EP |
| Chemical Name | [3-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid |
| IUPAC Name | [3-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-4-3-5-7(8(6)11)10(14)15/h3-5,14-15H,1-2H3 |
| InChI Key | ICJWWRWLFPUVJI-UHFFFAOYSA-N |
| MDL Number | MFCD16295256 |
| Molecular Formula | C9H11BFNO3 |
| Molecular Weight | 210.9979 |
| SMILES | CN(C(C1=C(F)C(B(O)O)=CC=C1)=O)C |
| Synonyms | 1451391-88-0,
2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid,
(3-(Dimethylcarbamoyl)-2-fluorophenyl)boronic acid,
[3-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid,
3-(Dimethylcarbamoyl)-2-fluorobenzeneboronic acid,
MFCD16295256,
AKOS022181762,
ZINC169747370,
BC001609,
Z1338,
Q-7909,
C9H11BFNO3,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.999g/mol |
| Monoisotopic Mass | 211.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number