| CAS Number | 1705578-28-4 |
| Catalog Number | AG00ARSO(AGN-PC-0WCTPR) |
| Chemical Name | POTASSIUM TRIFLUORO(3-((2-FLUOROPHENYL)AMINO)-3-OXOPROPYL)BORATE |
| IUPAC Name | potassium;trifluoro-[3-(2-fluoroanilino)-3-oxopropyl]boranuide |
| InChI | InChI=1S/C9H9BF4NO.K/c11-7-3-1-2-4-8(7)15-9(16)5-6-10(12,13)14;/h1-4H,5-6H2,(H,15,16);/q-1;+1 |
| InChI Key | ZFNKQQSAERQMRW-UHFFFAOYSA-N |
| MDL Number | MFCD28805724 |
| Molecular Formula | C9H9BF4KNO |
| Molecular Weight | 273.0768 |
| SMILES | O=C(NC1=CC=CC=C1F)CC[B-](F)(F)F.[K+] |
| Synonyms | potassium trifluoro(3-((2-fluorophenyl)amino)-3-oxopropyl)borate,
1705578-28-4,
MFCD28805724,
AKOS025286992,
AM87573,
CS-0062060,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.079g/mol |
| Monoisotopic Mass | 273.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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