3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Basic information
- CAS
5224-49-7- Standard SMILES
FC(F)(F)C1=NNC(c2ccc3ccccc3c2)=NN1- InChIKey
DEEJZBMFCIOFBQ-UHFFFAOYSA-N- Molecular formula
- C13H9F3N4
- Average molar mass
- 278.23 g/mol
- Monoisotopic mass
- 278.07793079
Names & identifiers
- Preferred name
- 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
- IUPAC
- 3-naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Names & synonyms
MLS0031156235224-49-7NSC29067559872-90-1CHEMBL1994369DTXSID20966619NSC-290675SMR0018311953-(Naphthalen-2-yl)-6-(trifluoromethyl)-1,2-dihydro-1,2,4,5-tetrazine
Database identifiers
- CAS
5224-49-7、59872-90-1- PubChem CID
- 324580
- DTXSID
DTXSID20966619- ChEMBL
CHEMBL1994369
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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