Basic information
- CAS
75455-41-3- Standard SMILES
C=CC(Cl)CO- InChIKey
FNBIWDGYHRVZFA-UHFFFAOYSA-N- Molecular formula
- C4H7ClO
- Average molar mass
- 106.55 g/mol
- Monoisotopic mass
- 106.0185425
Names & identifiers
- Preferred name
- 2-Chlorobut-3-en-1-ol
- IUPAC
- 2-chlorobut-3-en-1-ol
- English name
- 2-Chloro-3-buten-1-ol
- Molecular formula
- C4H7ClO
- Molecular weight
- 106.55
Names & synonyms
2-chlorobut-3-en-1-ol75455-41-3DTXSID30996902RefChem:1062839DTXCID9014239134-HYDROXY-3-CHLORO-1-BUTENESCHEMBL6694345SCHEMBL91209692-Chloro-3-buten-1-ol3-Buten-1-ol, 2-chloro-
Database identifiers
- CAS
75455-41-3- PubChem CID
- 53267
- DTXSID
DTXSID30996902- Nikkaji
- J1.591.023B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 44.8
Physicochemical properties
- Boiling point
- 118.37 °C · 118.37°C (rough estimate)
- Density
- 1.1044 · 1.1044
- refractive index
- 1.4665 · 1.4665 (estimate)
- pka
- 13.87 · 13.87±0.10(Predicted)
Chemistry & industry
Suppliers1 total
MDP ChemControl Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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