Basic information
- CAS
2780-27-0- Standard SMILES
CC(C)(C)c1ccc(O)c(N=Nc2ccc([N+](=O)[O-])cc2)c1- InChIKey
HKRYSDJDDQBSMZ-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.12699141
Names & identifiers
- Preferred name
- 4-tert-Butyl-6-[2-(4-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
- IUPAC
- 4-tert-butyl-2-[(4-nitrophenyl)diazenyl]phenol
Names & synonyms
2780-27-0DTXSID307803834-tert-Butyl-6-[2-(4-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
2780-27-0- PubChem CID
- 136239685
- DTXSID
DTXSID30780383- Nikkaji
- J1.876.601I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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