3,3-Dichloropropyne
Basic information
- CAS
25523-14-2- Standard SMILES
C#CC(Cl)Cl- InChIKey
ZPKJNYZSDAWAEA-UHFFFAOYSA-N- Molecular formula
- C3H2Cl2
- Average molar mass
- 108.95 g/mol
- Monoisotopic mass
- 107.9533555
Names & identifiers
- Preferred name
- 3,3-Dichloropropyne
- IUPAC
- 3,3-dichloroprop-1-yne
Names & synonyms
3,3-DICHLOROPROPYNEPropyne, 3,3-dichloro-25523-14-2DTXSID90180224RefChem:90781DTXCID00102715ZPKJNYZSDAWAEA-UHFFFAOYSA-N3,3-dichloroprop-1-yne3,3-Dichloro-1-propyne #SCHEMBL716960SCHEMBL838290SCHEMBL1979005
Database identifiers
- CAS
25523-14-2- PubChem CID
- 33035
- DTXSID
DTXSID90180224- Nikkaji
- J1.611.884B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 56.5
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Compound notes
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