| CAS Number | 1451392-76-9 |
| Catalog Number | AG01C1JX |
| Chemical Name | (3-Carbamoyl-2-fluorophenyl)boronic acid |
| IUPAC Name | (3-carbamoyl-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C7H7BFNO3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,12-13H,(H2,10,11) |
| InChI Key | RBTYOTCFMGEGAV-UHFFFAOYSA-N |
| MDL Number | MFCD16295255 |
| Molecular Formula | C7H7BFNO3 |
| Molecular Weight | 182.9448 |
| SMILES | OB(c1cccc(c1F)C(=O)N)O |
| Synonyms | 3-Aminocarbonyl-2-fluorophenylboronic acid,
1451392-76-9,
(3-Carbamoyl-2-fluorophenyl)boronic acid,
MFCD16295255,
AKOS022181606,
ZINC169995157,
BC001610,
Z1395,
Q-8675,
C7H7BFNO3,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.945g/mol |
| Monoisotopic Mass | 183.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number