Basic information
- CAS
6974-51-2- Standard SMILES
N#CC(c1ccccc1)c1cccc2ccccc12- InChIKey
DJHWWEPQEQVCLE-UHFFFAOYSA-N- Molecular formula
- C18H13N
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.10479942
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile,a-phenyl-
- IUPAC
- 2-naphthalen-1-yl-2-phenylacetonitrile
- English name
- 2-naphthalen-1-yl-2-phenyl-acetonitrile
- Molecular formula
- C18H13N
- Molecular weight
- 0
Names & synonyms
NSC238296974-51-21-Naphthaleneacetonitrile,a-phenyl-SCHEMBL9646342SCHEMBL9646346CHEMBL1972325DTXSID30282014NSC-23829(Naphthalen-1-yl)(phenyl)acetonitrileDS-0017052-naphthalen-1-yl-2-phenyl-acetonitrile
Database identifiers
- CAS
6974-51-2- PubChem CID
- 229828
- DTXSID
DTXSID30282014- ChEMBL
CHEMBL1972325
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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