Basic information
- Standard SMILES
CC(C)(C)c1ccn(CCl)n1.Cl- InChIKey
DGVNYNIDDLQNJW-UHFFFAOYSA-N- Molecular formula
- C8H14Cl2N2
- Average molar mass
- 209.11 g/mol
- Monoisotopic mass
- 208.0534038
Names & identifiers
- Preferred name
- 3-t-butyl-1-(chloromethyl)-1H-pyrazole hydrochloride
- IUPAC
- 3-tert-butyl-1-(chloromethyl)pyrazole;hydrochloride
Names & synonyms
SCHEMBL2189235DGVNYNIDDLQNJW-UHFFFAOYSA-N3-t-butyl-1-(chloromethyl)-1H-pyrazole hydrochloride
Database identifiers
- PubChem CID
- 23149152
Properties
Computed structural properties
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
3 records
Compound notes
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