Benzyl 2-(4-(chlorosulfonyl)-3,5-dimethylphenoxy)acetate
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Basic information
- Standard SMILES
Cc1cc(OCC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)Cl- InChIKey
QUBLXRUSUDOGQV-UHFFFAOYSA-N- Molecular formula
- C17H17ClO5S
- Average molar mass
- 368.8 g/mol
Names & identifiers
- Preferred name
- Benzyl 2-(4-(chlorosulfonyl)-3,5-dimethylphenoxy)acetate
- IUPAC
- benzyl 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate
Names & synonyms
1541172-98-8benzyl 2-(4-(chlorosulfonyl)-3,5-dimethylphenoxy)acetateSCHEMBL15413021QUBLXRUSUDOGQV-UHFFFAOYSA-NDA-35142
Database identifiers
- PubChem CID
- 86715367
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 498
Related reactions
4 records
Compound notes
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