5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Basic information
- CAS
5680-53-5- Standard SMILES
O=C1OC(=O)C2C(c3ccccc3)C=C(Cl)C(CCCl)C12- InChIKey
RLOZOJLSGDIQCQ-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2O3
- Average molar mass
- 325.2 g/mol
- Monoisotopic mass
- 324.0319997
Names & identifiers
- Preferred name
- 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- IUPAC
- 5-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Names & synonyms
5680-53-5NSC1688845-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dioneDTXSID00305042NSC-168884
Database identifiers
- CAS
5680-53-5- PubChem CID
- 297632
- DTXSID
DTXSID00305042
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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