Basic information
- CAS
111055-65-3- Standard SMILES
CCCCC1OC1(Cl)C(=O)OCC- InChIKey
DNOBYWMUTDQTAR-UHFFFAOYSA-N- Molecular formula
- C9H15ClO3
- Average molar mass
- 206.66 g/mol
- Monoisotopic mass
- 206.070972
Names & identifiers
- Preferred name
- Oxiranecarboxylic acid, 3-butyl-2-chloro-, ethyl ester
- IUPAC
- ethyl 3-butyl-2-chlorooxirane-2-carboxylate
Names & synonyms
ethyl 3-butyl-2-chlorooxirane-2-carboxylate111055-65-3Oxiranecarboxylic acid, 3-butyl-2-chloro-, ethyl esterDTXSID10469487
Database identifiers
- CAS
111055-65-3- PubChem CID
- 11615402
- DTXSID
DTXSID10469487- Nikkaji
- J2.335.553A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…