Basic information
- CAS
6283-07-4- Standard SMILES
O=C(OC1CCCC1)c1ccc(Cl)cc1Cl- InChIKey
YIYAZKFHEPQVTL-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2O2
- Average molar mass
- 259.12 g/mol
- Monoisotopic mass
- 258.021435
Names & identifiers
- Preferred name
- Cyclopentyl 2,4-dichlorobenzoate
- IUPAC
- cyclopentyl 2,4-dichlorobenzoate
Names & synonyms
MLS0026379836283-07-4cyclopentyl 2,4-dichlorobenzoateNSC7130CHEMBL1701231DTXSID30278396HMS3091B23NSC-7130SMR001547488
Database identifiers
- CAS
6283-07-4- PubChem CID
- 221986
- DTXSID
DTXSID30278396- ChEMBL
CHEMBL1701231
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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