| CAS Number | 1855907-54-8 |
| Catalog Number | AG01ELR3(AGN-PC-0WBF5X) |
| Chemical Name | 4-(chloromethyl)-1-(2-fluoroethyl)-1H-pyrazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride |
| InChI | InChI=1S/C6H8ClFN2.ClH/c7-3-6-4-9-10(5-6)2-1-8;/h4-5H,1-3H2;1H |
| InChI Key | LYCJGZZIWXRPMG-UHFFFAOYSA-N |
| MDL Number | MFCD31380940 |
| Molecular Formula | C6H9Cl2FN2 |
| Molecular Weight | 199.0535 |
| SMILES | Cl.FCCN1N=CC(CCl)=C1 |
| Synonyms | 1855907-54-8,
4-(Chloromethyl)-1-(2-fluoroethyl)-1H-pyrazole hydrochloride,
AKOS030247693,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.05g/mol |
| Monoisotopic Mass | 198.013g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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