Basic information
- CAS
6800-19-7- Standard SMILES
Cl.Nc1[nH]ncc1-c1ccc(F)cc1- InChIKey
GSAOLYDPBNXNCO-UHFFFAOYSA-N- Molecular formula
- C9H9ClFN3
- Average molar mass
- 213.64 g/mol
- Monoisotopic mass
- 213.0469032
Names & identifiers
- Preferred name
- Pyrazole, 3-amino-4-(p-fluorophenyl)-, hydrochloride
- IUPAC
- 4-(4-fluorophenyl)-1H-pyrazol-5-amine;hydrochloride
Names & synonyms
Pyrazole, 3-amino-4-(p-fluorophenyl)-, hydrochloride3-Amino-4-(p-fluorophenyl)pyrazole hydrochloride6800-19-7DTXSID50218193RefChem:376076DTXCID701406844-(4-Fluorophenyl)-1H-pyrazol-5-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
6800-19-7- PubChem CID
- 201771
- DTXSID
DTXSID50218193
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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