4-Nitro-2-{[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazenyl}phenol
Basic information
- CAS
85409-64-9- Standard SMILES
CN1C(=CN=Nc2cc([N+](=O)[O-])ccc2O)C(C)(C)c2ccccc21- InChIKey
AUHGAASRWDDCDD-UHFFFAOYSA-N- Molecular formula
- C18H18N4O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13789045
Names & identifiers
- Preferred name
- 4-Nitro-2-{[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazenyl}phenol
- IUPAC
- 4-nitro-2-[(1,3,3-trimethylindol-2-ylidene)methyldiazenyl]phenol
Names & synonyms
AUHGAASRWDDCDD-UHFFFAOYSA-NDTXSID201128865NS000660292-[2-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]diazenyl]-4-nitrophenol4-Nitro-2-{[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazenyl}phenol
Database identifiers
- CAS
85409-64-9- PubChem CID
- 3020697
- DTXSID
DTXSID201128865
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…