| CAS Number | 2246829-52-5 |
| Catalog Number | AG00UZDC(AGN-PC-3H45A9) |
| Chemical Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide |
| IUPAC Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide |
| InChI | InChI=1S/C15H21BFNO4S/c1-14(2)15(3,4)22-16(21-14)10-5-8-13(12(17)9-10)18-23(19,20)11-6-7-11/h5,8-9,11,18H,6-7H2,1-4H3 |
| InChI Key | SPLQBQLBAPIEOX-UHFFFAOYSA-N |
| MDL Number | MFCD31916422 |
| Molecular Formula | C15H21BFNO4S |
| Molecular Weight | 341.2059 |
| SMILES | FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)NS(=O)(=O)C1CC1 |
| Synonyms | 2246829-52-5,
AS-55398,
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide,
N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide,
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| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.204g/mol |
| Monoisotopic Mass | 341.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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