Ethyl 4-(3-chloropropyl)benzoate
Basic information
- CAS
86911-10-6- Standard SMILES
CCOC(=O)c1ccc(CCCCl)cc1- InChIKey
FJPSLYUVUOMQDO-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- Ethyl 4-(3-chloropropyl)benzoate
- IUPAC
- ethyl 4-(3-chloropropyl)benzoate
Names & synonyms
ethyl 4-(3-chloropropyl)benzoate86911-10-6DTXSID80309205RefChem:343692DTXCID70260331NSC211326SCHEMBL11108627FJPSLYUVUOMQDO-UHFFFAOYSA-NNSC-211326
Database identifiers
- CAS
86911-10-6- PubChem CID
- 309153
- DTXSID
DTXSID80309205- Nikkaji
- J3.585.033C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
2 records
Compound notes
Loading…