| CAS Number | 1011414-21-3 |
| Catalog Number | AG00H9FU |
| Chemical Name | potassium 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate |
| IUPAC Name | potassium;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate |
| InChI | InChI=1S/C10H7F3N2O2.K/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17;/h1-4H,5H2,(H,16,17);/q;+1/p-1 |
| InChI Key | SDAWIKJGCFQHQO-UHFFFAOYSA-M |
| MDL Number | MFCD04614039 |
| Molecular Formula | C10H6F3KN2O2 |
| Molecular Weight | 282.2603 |
| SMILES | [K+].[O-]C(CN1C2=C(C=CC=C2)N=C1C(F)(F)F)=O |
| Synonyms | potassium 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate,
1011414-21-3,
potassium [2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetate,
AC1NMKN7,
AC1Q1TWP,
SCHEMBL20299685,
CTK5I5027,
MFCD04614039,
NE47694,
EN300-11460,
potassium 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate,
CID5027502,
CID6095429,
Potassium 2-[2-(trifluoromethyl)benzoimidazol-1-yl]acetate,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.264g/mol |
| Monoisotopic Mass | 282.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number