Basic information
- Standard SMILES
Cn1nc(Cl)cc1C(=O)Cl- InChIKey
VFZHBVZIQASVCW-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2O
- Average molar mass
- 179 g/mol
- Monoisotopic mass
- 177.97006811
Names & identifiers
- Preferred name
- 3-Chloro-1-methyl-1h-pyrazole-5-carbonyl chloride
- IUPAC
- 3-chloro-1-methylpyrazole-5-carbonyl chloride
- English name
- 1H-Pyrazole-5-carbonyl chloride, 3-chloro-1-methyl- (9CI)
- Molecular formula
- C5H4Cl2N2O
- Molecular weight
- 179.00406
Names & synonyms
173841-83-33-chloro-1-methyl-1h-pyrazole-5-carbonyl chloride1H-PYRAZOLE-5-CARBONYL CHLORIDE, 3-CHLORO-1-METHYL-1H-Pyrazole-5-carbonyl chloride, 3-chloro-1-methyl- (9CI)5-CHLORO-2-METHYLPYRAZOLE-3-CARBONYL CHLORIDESCHEMBL3058674DTXSID50596988VFZHBVZIQASVCW-UHFFFAOYSA-NDB-2680363-chloro-1-methyl-5-pyrazolecarbonyl chloride
Database identifiers
- CAS
173841-83-3- PubChem CID
- 18970462
- DTXSID
DTXSID50596988
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Linked notes
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