3-(3-Chloro-4-methoxymethoxyphenyl)propyl methanesulfonate
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Basic information
- Standard SMILES
COCOc1ccc(CCCOS(C)(=O)=O)cc1Cl- InChIKey
DAEBNJSBTDWQLX-UHFFFAOYSA-N- Molecular formula
- C12H17ClO5S
- Average molar mass
- 308.78 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloro-4-methoxymethoxyphenyl)propyl methanesulfonate
- IUPAC
- 3-[3-chloro-4-(methoxymethoxy)phenyl]propyl methanesulfonate
Names & synonyms
SCHEMBL5760155DAEBNJSBTDWQLX-UHFFFAOYSA-N3-(3-chloro-4-methoxymethoxyphenyl)propyl methanesulfonate
Database identifiers
- PubChem CID
- 22009591
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
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