3-(1-Naphthyloxy)benzonitrile
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Basic information
- CAS
1314406-41-1- Standard SMILES
N#Cc1cccc(Oc2cccc3ccccc23)c1- InChIKey
NOUMVXHOGLJHEH-UHFFFAOYSA-N- Molecular formula
- C17H11NO
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.08406397
Names & identifiers
- Preferred name
- 3-(1-Naphthyloxy)benzonitrile
- IUPAC
- 3-naphthalen-1-yloxybenzonitrile
- English name
- 3-(1-Naphthyloxy)benzonitrile
- Molecular formula
- C17H11NO
- Molecular weight
- 245.28
Names & synonyms
3-(1-Naphthyloxy)benzonitrile1314406-41-13-(Naphthalen-1-yloxy)benzonitrile3-naphthalen-1-yloxybenzonitrileMFCD194427733-(1-naphthalenyloxy)BenzonitrileSCHEMBL8125546SCHEMBL27803814AC7610AKOS022183901SY014792DB-023576
Show more names
Benzonitrile, 3-(1-naphthalenyloxy)-
CS-0337887
Database identifiers
- CAS
1314406-41-1- PubChem CID
- 73553954
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 409.8 · 409.8±28.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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