Basic information
- CAS
64186-71-6- Standard SMILES
O=C1CC(C(=O)Cl)NN1- InChIKey
JSTIWBCGVZMZEX-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2O2
- Average molar mass
- 148.55 g/mol
- Monoisotopic mass
- 148.0039551
Names & identifiers
- Preferred name
- 5-Oxopyrazolidine-3-carbonyl chloride
- IUPAC
- 5-oxopyrazolidine-3-carbonyl chloride
- English name
- 3-Pyrazolidinecarbonyl chloride, 5-oxo- (9CI)
- Molecular formula
- C4H5ClN2O2
- Molecular weight
- 148.55
Names & synonyms
5-Oxopyrazolidine-3-carbonyl chloride64186-71-6DTXSID304953043-Pyrazolidinecarbonyl chloride, 5-oxo-3-Pyrazolidinecarbonyl chloride, 5-oxo- (9CI)
Database identifiers
- CAS
64186-71-6- PubChem CID
- 12378852
- DTXSID
DTXSID30495304
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 10 Torr)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 11.93 · 11.93±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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