Basic information
- CAS
18979-96-9- Standard SMILES
CCCCCCCc1cc(Cl)ccc1O- InChIKey
LAMKHMJVAKQLOO-UHFFFAOYSA-N- Molecular formula
- C13H19ClO
- Average molar mass
- 226.74 g/mol
- Monoisotopic mass
- 226.1124429
Names & identifiers
- Preferred name
- 4-Chloro-2-heptylphenol
- IUPAC
- 4-chloro-2-heptylphenol
Names & synonyms
4-Chloro-2-heptylphenol18979-96-9RefChem:98371242-716-8EINECS 242-716-8SCHEMBL573986LAMKHMJVAKQLOO-UHFFFAOYSA-NNS00052636
Database identifiers
- CAS
18979-96-9- PubChem CID
- 29359
- EC Number
- 242-716-8
- Nikkaji
- J224.819K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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