1-Bromo-4-hexyloxynaphthalene
Basic information
- CAS
66052-08-2- Standard SMILES
CCCCCCOc1ccc(Br)c2ccccc12- InChIKey
IDDQEDUFJYAFOE-UHFFFAOYSA-N- Molecular formula
- C16H19BrO
- Average molar mass
- 307.22 g/mol
- Monoisotopic mass
- 306.06193
Names & identifiers
- Preferred name
- 1-Bromo-4-hexyloxynaphthalene
- IUPAC
- 1-bromo-4-hexoxynaphthalene
- English name
- 1-bromo-4-hexyloxynaphthalene
- Molecular formula
- C16H19BrO
- Molecular weight
- 307.23
Names & synonyms
66052-08-21-Bromo-4-hexyloxynaphthaleneEINECS 266-091-61-BROMO-4-(HEXYLOXY)NAPHTHALENEDTXSID30984521IDDQEDUFJYAFOE-UHFFFAOYSA-NNS00055357Naphthalene, 1-bromo-4-(hexyloxy)-
Database identifiers
- CAS
66052-08-2- PubChem CID
- 3017643
- DTXSID
DTXSID30984521- EC Number
- 266-091-6
- Nikkaji
- J349.327J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 392.3 · 392.3±15.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
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Compound notes
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