Basic information
- CAS
25315-11-1- Standard SMILES
COc1ccc2c(I)c(OC)ccc2c1- InChIKey
LMTJBPLPAYQIIJ-UHFFFAOYSA-N- Molecular formula
- C12H11IO2
- Average molar mass
- 314.12 g/mol
- Monoisotopic mass
- 313.98038
Names & identifiers
- Preferred name
- 1-Iodo-2,6-dimethoxynaphthalene
- IUPAC
- 1-iodo-2,6-dimethoxynaphthalene
- English name
- 1-Iodo-2,6-dimethoxynaphthalene
- Molecular formula
- C12H11IO2
- Molecular weight
- 314.12
Names & synonyms
1-Iodo-2,6-dimethoxynaphthaleneNaphthalene, 1-iodo-2,6-dimethoxy-25315-11-1DTXSID20347969RefChem:231025DTXCID30299041LMTJBPLPAYQIIJ-UHFFFAOYSA-NSCHEMBL28273154
Database identifiers
- CAS
25315-11-1- PubChem CID
- 628773
- DTXSID
DTXSID20347969- Nikkaji
- J119.682K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 385.7 · 385.7±27.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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