| CAS Number | 2096329-81-4 |
| Catalog Number | AG01EH9P(AGN-PC-3H45FL) |
| Chemical Name | 4-(N-Propylsulfamoyl)-2-trifluoromethylphenylboronic acid |
| IUPAC Name | [4-(propylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H13BF3NO4S/c1-2-5-15-20(18,19)7-3-4-9(11(16)17)8(6-7)10(12,13)14/h3-4,6,15-17H,2,5H2,1H3 |
| InChI Key | ASODGCPJAVWBFD-UHFFFAOYSA-N |
| MDL Number | MFCD18783151 |
| Molecular Formula | C10H13BF3NO4S |
| Molecular Weight | 311.0857 |
| SMILES | CCCNS(=O)(=O)c1ccc(c(c1)C(F)(F)F)B(O)O |
| Synonyms | 4-(N-Propylsulfamoyl)-2-trifluoromethylphenylboronic acid,
2096329-81-4,
(4-(N-Propylsulfamoyl)-2-(trifluoromethyl)phenyl)boronic acid,
C10H13BF3NO4S,
MFCD18783151,
ZINC169934953,
Y2669,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.082g/mol |
| Monoisotopic Mass | 311.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number