| CAS Number | 1246547-57-8 |
| Catalog Number | AG01EK3T |
| Chemical Name | 1-[2-(2-fluorophenyl)ethyl]guanidine hydrochloride |
| IUPAC Name | 2-[2-(2-fluorophenyl)ethyl]guanidine;hydrochloride |
| InChI | InChI=1S/C9H12FN3.ClH/c10-8-4-2-1-3-7(8)5-6-13-9(11)12;/h1-4H,5-6H2,(H4,11,12,13);1H |
| InChI Key | BQJCYQVSBCYFBA-UHFFFAOYSA-N |
| MDL Number | MFCD31616018 |
| Molecular Formula | C9H13ClFN3 |
| Molecular Weight | 217.671 |
| SMILES | Cl.NC(NCCC1=C(F)C=CC=C1)=N |
| Synonyms | 1-[2-(2-fluorophenyl)ethyl]guanidine hydrochloride,
1246547-57-8,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.672g/mol |
| Monoisotopic Mass | 217.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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