Benzaldehyde, 2-hydroxy-5-(4-nitrophenylazo)-
Basic information
- CAS
32041-64-8- Standard SMILES
O=Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O- InChIKey
ITTSIMLWANMLRF-UHFFFAOYSA-N- Molecular formula
- C13H9N3O4
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.05930578
Names & identifiers
- Preferred name
- Benzaldehyde, 2-hydroxy-5-(4-nitrophenylazo)-
- IUPAC
- 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzaldehyde
Names & synonyms
2-Hydroxy-5-[(E)-(4-nitrophenyl)diazenyl]benzaldehyde2-HYDROXY-5-((4-NITROPHENYL)DIAZENYL)BENZALDEHYDE2-hydroxy-5-[(1E)-2-(4-nitrophenyl)diazen-1-yl]benzaldehyde952665-75-7Benzaldehyde, 2-hydroxy-5-(4-nitrophenylazo)-32041-64-8Benzaldehyde, 2-hydroxy-5-[(4-nitrophenyl)azo]-SCHEMBL28513901DTXSID50425683ITTSIMLWANMLRF-CCEZHUSRSA-NDTXSID001038816BBL028727
Show more names
MFCD00511847STL377292AKOS024343829VS-08931AG-205/154245702-Hydroxy-5-[(E)-(4-nitrophenyl)diazenyl]benzaldehyde #Benzaldehyde, 2-hydroxy-5-[(1E)-2-(4-nitrophenyl)diazenyl]-3-[2-(4-Nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carbaldehyde
Database identifiers
- CAS
32041-64-8、952665-75-7- PubChem CID
- 548610
- DTXSID
DTXSID001038816- Nikkaji
- J1.267.465A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
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Related reactions
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Compound notes
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