Basic information
- CAS
836-60-2- Standard SMILES
CCCCCCCCOc1ccc(Cl)cc1- InChIKey
WIDHUBSORYSSME-UHFFFAOYSA-N- Molecular formula
- C14H21ClO
- Average molar mass
- 240.77 g/mol
- Monoisotopic mass
- 240.128093
Names & identifiers
- Preferred name
- 1-Chloro-4-(octyloxy)benzene
- IUPAC
- 1-chloro-4-octoxybenzene
Names & synonyms
1-chloro-4-(octyloxy)benzene836-60-2DTXSID70307351RefChem:229466DTXCID502584781-chloro-4-octoxybenzeneNSC190785SCHEMBL8778546SCHEMBL11662072SCHEMBL16179646AKOS014091666NSC-190785
Database identifiers
- CAS
836-60-2- PubChem CID
- 303012
- DTXSID
DTXSID70307351- Nikkaji
- J156.518D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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