3-Buten-2-ol, 1-chloro-
Basic information
- CAS
671-56-7- Standard SMILES
C=CC(O)CCl- InChIKey
PIPLRXXGXUVQRX-UHFFFAOYSA-N- Molecular formula
- C4H7ClO
- Average molar mass
- 106.55 g/mol
- Monoisotopic mass
- 106.0185425
Names & identifiers
- Preferred name
- 3-Buten-2-ol, 1-chloro-
- IUPAC
- 1-chlorobut-3-en-2-ol
- English name
- 1-chloro-2-hydroxy-3-butene
- Molecular weight
- 0
Names & synonyms
1-Chloro-2-hydroxy-3-butene671-56-71-CHB3-Buten-2-ol, 1-chloro-DTXSID60870746RefChem:75354DTXCID008184401-chlorobut-3-en-2-ol1-chloro-but-3-en-2-ol1-Chloro-3-buten-2-olSCHEMBL8781922MFCD19232027
Show more names
AKOS006382359SY407010
Database identifiers
- CAS
671-56-7- PubChem CID
- 12642
- DTXSID
DTXSID60870746- Nikkaji
- J1.603.402I
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
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 118.37 °C · 118.37°C (rough estimate)
- Density
- 1.111 · 1.1110
- refractive index
- 1.4643 · 1.4643 (estimate)
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Related reactions
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Compound notes
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