| CAS Number | 1705578-32-0 |
| Catalog Number | AG00ARSP(AGN-PC-0WCTQE) |
| Chemical Name | potassium trifluoro({2-[(2-methoxyphenyl)carbamoyl]ethyl})boranuide |
| IUPAC Name | potassium;trifluoro-[3-(2-methoxyanilino)-3-oxopropyl]boranuide |
| InChI | InChI=1S/C10H12BF3NO2.K/c1-17-9-5-3-2-4-8(9)15-10(16)6-7-11(12,13)14;/h2-5H,6-7H2,1H3,(H,15,16);/q-1;+1 |
| InChI Key | GEOHYWYYXXGLAA-UHFFFAOYSA-N |
| MDL Number | MFCD28805725 |
| Molecular Formula | C10H12BF3KNO2 |
| Molecular Weight | 285.1123 |
| SMILES | O=C(CC[B-](F)(F)F)NC1=CC=CC=C1OC.[K+] |
| Synonyms | potassium trifluoro(3-((2-methoxyphenyl)amino)-3-oxopropyl)borate,
1705578-32-0,
MFCD28805725,
AM87572,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.115g/mol |
| Monoisotopic Mass | 285.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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