Basic information
- Standard SMILES
CCCCCCC(C)Oc1ccc(C(=O)Cl)cc1- InChIKey
KDMNRIBLWMEWSS-UHFFFAOYSA-N- Molecular formula
- C15H21ClO2
- Average molar mass
- 268.78 g/mol
- Monoisotopic mass
- 268.1230076
Names & identifiers
- Preferred name
- p-(1-Methyl-heptyloxy)benzoic acid chloride
- IUPAC
- 4-octan-2-yloxybenzoyl chloride
Names & synonyms
SCHEMBL10356272KDMNRIBLWMEWSS-UHFFFAOYSA-Np-(1-methyl-heptyloxy)benzoic acid chloride
Database identifiers
- PubChem CID
- 13878422
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Related reactions
2 records
Compound notes
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