| CAS Number | 1704705-14-5 |
| Catalog Number | AG00ARST(AGN-PC-0WCTMA) |
| Chemical Name | Potassium trifluoro(3-((4-methoxyphenyl)amino)-3-oxopropyl)borate |
| IUPAC Name | potassium;trifluoro-[3-(4-methoxyanilino)-3-oxopropyl]boranuide |
| InChI | InChI=1S/C10H12BF3NO2.K/c1-17-9-4-2-8(3-5-9)15-10(16)6-7-11(12,13)14;/h2-5H,6-7H2,1H3,(H,15,16);/q-1;+1 |
| InChI Key | KQOOYBVDEWPXNO-UHFFFAOYSA-N |
| MDL Number | MFCD28805729 |
| Molecular Formula | C10H12BF3KNO2 |
| Molecular Weight | 285.1123 |
| SMILES | [K+].O=C(NC1=CC=C(OC)C=C1)C[CH2-][B+3]([F-])([F-])[F-] |
| Synonyms | potassium trifluoro(3-((4-methoxyphenyl)amino)-3-oxopropyl)borate,
1704705-14-5,
MFCD28805729,
AM87568,
|
| Complexity | 258 |
| 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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