| CAS Number | 1033783-02-6 |
| Catalog Number | AG00HA26(AGN-PC-0WR4L8) |
| Chemical Name | Potassium trifluoro(2-hydroxy-3-methylphenyl)boranuide |
| IUPAC Name | potassium;trifluoro-(2-hydroxy-3-methylphenyl)boranuide |
| InChI | InChI=1S/C7H7BF3O.K/c1-5-3-2-4-6(7(5)12)8(9,10)11;/h2-4,12H,1H3;/q-1;+1 |
| InChI Key | RCJADOGHMPEMPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09993089 |
| Molecular Formula | C7H7BF3KO |
| Molecular Weight | 214.0344 |
| SMILES | CC1=C(O)C([B-](F)(F)F)=CC=C1.[K+] |
| Synonyms | 1033783-02-6,
POTASSIUM TRIFLUORO(2-HYDROXY-3-METHYLPHENYL)BORANUIDE,
Potassium Trifluoro(2-hydroxy-3-methylphenyl)borate,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.036g/mol |
| Monoisotopic Mass | 214.018g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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