4,6-Dichloro-2-hexylresorcinol
Basic information
- CAS
17140-00-0- Standard SMILES
CCCCCCc1c(O)c(Cl)cc(Cl)c1O- InChIKey
BPZLJQOVLMHISV-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2O2
- Average molar mass
- 263.16 g/mol
- Monoisotopic mass
- 262.0527351
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-hexylresorcinol
- IUPAC
- 4,6-dichloro-2-hexylbenzene-1,3-diol
Names & synonyms
4,6-DICHLORO-2-HEXYLRESORCINOL17140-00-0UNII-3CHA92S30C3CHA92S30CDTXSID00169080RefChem:96621DTXCID90915714,6-dichloro-2-hexylbenzene-1,3-diolSCHEMBL153783454,6-dichloro-2-hexyl-benzene-1,3-diolQ27257032
Database identifiers
- CAS
17140-00-0- PubChem CID
- 28312
- DTXSID
DTXSID00169080- UNII
- 3CHA92S30C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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