Basic information
- CAS
71123-38-1- Standard SMILES
Oc1cccc(-c2nnc(-c3cccc(O)c3)nn2)c1- InChIKey
YDADTNARCJIMQM-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- 3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
- IUPAC
- 3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
Names & synonyms
3,3'-(1,2,4,5-tetrazine-3,6-diyl)diphenol71123-38-1MLS0027064013-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenolNSC111295CHEMBL457636cid_269792SCHEMBL1180643SCHEMBL29444135BDBM25867DTXSID10296755YDADTNARCJIMQM-UHFFFAOYSA-N
Show more names
NSC-111295hydroxyphenyl substituted tetrazine, 39PD119517SMR001573809
Database identifiers
- CAS
71123-38-1- PubChem CID
- 269792
- DTXSID
DTXSID10296755- ChEMBL
CHEMBL457636
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
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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