1,3-Butadiyne, 1-bromo-
Basic information
- CAS
6088-90-0- Standard SMILES
C#CC#CBr- InChIKey
YTIPSWQGFYSLMS-UHFFFAOYSA-N- Molecular formula
- C4HBr
- Average molar mass
- 128.95 g/mol
- Monoisotopic mass
- 127.92616
Names & identifiers
- Preferred name
- 1,3-Butadiyne, 1-bromo-
- IUPAC
- 1-bromobuta-1,3-diyne
Names & synonyms
1,3-Butadiyne, 1-bromo-6088-90-01-bromobuta-1,3-diyne1-bromodiacetylene1-Bromo-1,3-butadiyneDTXSID50209723
Database identifiers
- CAS
6088-90-0- PubChem CID
- 138657
- DTXSID
DTXSID50209723
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
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Related reactions
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Compound notes
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