| CAS Number | 1705578-22-8 |
| Catalog Number | AG00ARSE(AGN-PC-0WCTPO) |
| Chemical Name | potassium {2-[(2-bromophenyl)carbamoyl]ethyl}trifluoroboranuide |
| IUPAC Name | potassium;[3-(2-bromoanilino)-3-oxopropyl]-trifluoroboranuide |
| InChI | InChI=1S/C9H9BBrF3NO.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 | NMNOVUADSGZYFK-UHFFFAOYSA-N |
| MDL Number | MFCD28805719 |
| Molecular Formula | C9H9BBrF3KNO |
| Molecular Weight | 333.9824 |
| SMILES | [B+3]([CH2-]CC(=O)Nc1ccccc1Br)([F-])([F-])[F-].[K+] |
| Synonyms | potassium (3-((2-bromophenyl)amino)-3-oxopropyl)trifluoroborate,
1705578-22-8,
MFCD28805719,
AM87583,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.985g/mol |
| Monoisotopic Mass | 332.955g/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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