1H-Isoindole, 2-[2-ethyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]-2,3-dihydro-
Basic information
- CAS
253169-88-9- Standard SMILES
CCc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1N1Cc2ccccc2C1- InChIKey
GSBXDMFAEKGTOY-UHFFFAOYSA-N- Molecular formula
- C22H20N4O2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15862589
Names & identifiers
- Preferred name
- 1H-Isoindole, 2-[2-ethyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]-2,3-dihydro-
- IUPAC
- [4-(1,3-dihydroisoindol-2-yl)-3-ethylphenyl]-(4-nitrophenyl)diazene
Names & synonyms
DTXSID0010384801H-Isoindole, 2-[2-ethyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]-2,3-dihydro-253169-88-9
Database identifiers
- CAS
253169-88-9- PubChem CID
- 2801792
- DTXSID
DTXSID001038480
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
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Compound notes
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