| CAS Number | 1803587-42-9 |
| Catalog Number | AG01BERJ |
| Chemical Name | 1-[2-Fluoro-5-(trifluoromethyl)phenyl]guanidine hydrochloride |
| IUPAC Name | 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine;hydrochloride |
| InChI | InChI=1S/C8H7F4N3.ClH/c9-5-2-1-4(8(10,11)12)3-6(5)15-7(13)14;/h1-3H,(H4,13,14,15);1H |
| InChI Key | DUNZODJQZQXNRH-UHFFFAOYSA-N |
| MDL Number | MFCD28118407 |
| Molecular Formula | C8H8ClF4N3 |
| Molecular Weight | 257.6158 |
| SMILES | Cl.FC1=C(C=C(C=C1)C(F)(F)F)NC(=N)N |
| Synonyms | 1-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine hydrochloride,
1803587-42-9,
EN300-183137,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.617g/mol |
| Monoisotopic Mass | 257.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number