Methyl 5-(2,5-Dichlorophenyl)pentanoate
Basic information
- Standard SMILES
COC(=O)CCCCc1cc(Cl)ccc1Cl- InChIKey
KZDFVZDQKDLFCK-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O2
- Average molar mass
- 261.14 g/mol
- Monoisotopic mass
- 260.0370851
Names & identifiers
- Preferred name
- Methyl 5-(2,5-Dichlorophenyl)pentanoate
- IUPAC
- methyl 5-(2,5-dichlorophenyl)pentanoate
Names & synonyms
SCHEMBL7897889KZDFVZDQKDLFCK-UHFFFAOYSA-Nmethyl 5-(2,5dichlorophenyl)pentanoateMethyl 5-(2,5-Dichlorophenyl)pentanoate
Database identifiers
- PubChem CID
- 22013526
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
12 records
Compound notes
Loading…