| CAS Number | 1705578-38-6 |
| Catalog Number | AG00ARSR(AGN-PC-0WCTQH) |
| Chemical Name | potassium trifluoro({2-[(3-nitrophenyl)carbamoyl]ethyl})boranuide |
| IUPAC Name | potassium;trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide |
| InChI | InChI=1S/C9H9BF3N2O3.K/c11-10(12,13)5-4-9(16)14-7-2-1-3-8(6-7)15(17)18;/h1-3,6H,4-5H2,(H,14,16);/q-1;+1 |
| InChI Key | KMLYLOGVVMNSRQ-UHFFFAOYSA-N |
| MDL Number | MFCD28805727 |
| Molecular Formula | C9H9BF3KN2O3 |
| Molecular Weight | 300.0839 |
| SMILES | [B+3]([CH2-]CC(=O)Nc1cccc(c1)N(=O)=O)([F-])([F-])[F-].[K+] |
| Synonyms | potassium trifluoro(3-((3-nitrophenyl)amino)-3-oxopropyl)borate,
1705578-38-6,
MFCD28805727,
AM87570,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.086g/mol |
| Monoisotopic Mass | 300.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number