| CAS Number | 1221726-31-3 |
| Catalog Number | AG01A7NQ(AGN-PC-0WOWHG) |
| Chemical Name | 1-(Difluoromethyl)-1H-Pyrazol-4-Amine Hydrochloride |
| IUPAC Name | 1-(difluoromethyl)pyrazol-4-amine;hydrochloride |
| InChI | InChI=1S/C4H5F2N3.ClH/c5-4(6)9-2-3(7)1-8-9;/h1-2,4H,7H2;1H |
| InChI Key | VFTVLJWWKQMKJK-UHFFFAOYSA-N |
| MDL Number | MFCD14705743 |
| Molecular Formula | C4H6ClF2N3 |
| Molecular Weight | 169.5603 |
| SMILES | NC1=CN(C(F)F)N=C1.Cl |
| Synonyms | 1-(difluoromethyl)-1H-pyrazol-4-amine hydrochloride,
1221726-31-3,
AC1Q3D08,
SCHEMBL15875286,
CTK7B7256,
MFCD14705743,
AKOS026745189,
MCULE-9746573902,
NE40352,
EN300-59271,
Z1278581714,
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.56g/mol |
| Monoisotopic Mass | 169.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number