Pentachloro-3-butenoic acid chloride
Basic information
- CAS
680-52-4- Standard SMILES
O=C(Cl)C(Cl)(Cl)C(Cl)=C(Cl)Cl- InChIKey
YWBSILUOCLPVTI-UHFFFAOYSA-N- Molecular formula
- C4Cl6O
- Average molar mass
- 276.8 g/mol
- Monoisotopic mass
- 273.808031
Overview
structure given in first source
Names & identifiers
- Preferred name
- Pentachloro-3-butenoic acid chloride
- IUPAC
- 2,2,3,4,4-pentachlorobut-3-enoyl chloride
- English name
- pentachloro-3-butenoic acid chloride
- Molecular formula
- C4Cl6O
- Molecular weight
- 276.76
Names & synonyms
680-52-4Pentachloro-3-butenoic acid chlorideRefChem:171297PC-3-BAC3-Butenoyl chloride, 2,2,3,4,4-pentachloro-,Pentachloro-3-butenoyl chloridePerchloro-3-butenoic acid chlorideBRN 17094212,2,3,4,4-pentachlorobut-3-enoyl chloride3-BUTENOYL CHLORIDE, 2,2,3,4,4-PENTACHLORO-SCHEMBL11365538DTXSID10987419
Database identifiers
- CAS
680-52-4- PubChem CID
- 12680
- DTXSID
DTXSID10987419
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…