Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
Basic information
- CAS
118795-59-8- Standard SMILES
Oc1ccc(-c2nnc(-c3ccc(O)cc3)nn2)cc1- InChIKey
CPOMHYIJGJUENL-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
- IUPAC
- 4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
Names & synonyms
118795-59-84,4'-(1,2,4,5-tetrazine-3,6-diyl)diphenolPhenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-MLS000064209SMR0000761974-[6-(4-hydroxyphenyl)-1,2,4,5-tetraazin-3-yl]phenolNSC1748774-[6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4,5-tetrazin-3-ylidene]cyclohexa-2,5-dien-1-oneCHEMBL1401717SCHEMBL13860770BDBM37119cid_5383583
Show more names
4-[6-(4-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenolDTXSID00419390HMS1593E07HMS2387H05STK242756AKOS002181030NSC-174877WAY-324345
Database identifiers
- CAS
118795-59-8- PubChem CID
- 300451
- DTXSID
DTXSID00419390- ChEMBL
CHEMBL1401717- Nikkaji
- J1.289.614J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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