3-(Naphthalen-2-yl)-6-(trifluoromethyl)-1,2,4,5-tetrazine
Basic information
- CAS
59872-94-5- Standard SMILES
FC(F)(F)c1nnc(-c2ccc3ccccc3c2)nn1- InChIKey
WYGWDDLDFHFLNP-UHFFFAOYSA-N- Molecular formula
- C13H7F3N4
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.06228073
Names & identifiers
- Preferred name
- 3-(Naphthalen-2-yl)-6-(trifluoromethyl)-1,2,4,5-tetrazine
- IUPAC
- 3-naphthalen-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine
Names & synonyms
59872-94-5NSC290804DTXSID003149923-(Naphthalen-2-yl)-6-(trifluoromethyl)-1,2,4,5-tetrazineNSC-290804
Database identifiers
- CAS
59872-94-5- PubChem CID
- 324685
- DTXSID
DTXSID00314992
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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