Basic information
- CAS
42991-55-9- Standard SMILES
CCCCOC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
POHHNDQPDMJXPR-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2O2
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0683852
Names & identifiers
- Preferred name
- Butyl 2,2-bis(4-chlorophenyl)acetate
- IUPAC
- butyl 2,2-bis(4-chlorophenyl)acetate
Names & synonyms
42991-55-9butyl 2,2-bis(4-chlorophenyl)acetateNSC405426SCHEMBL11597064Butyl bis(4-chlorophenyl)acetateDTXSID90324005NSC-405426
Database identifiers
- CAS
42991-55-9- PubChem CID
- 347015
- DTXSID
DTXSID90324005- Nikkaji
- J2.889.719G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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