2-((5-Chloro-pyridin-2-ylimino)-methyl)-4-nitro-phenol
Basic information
- CAS
329936-96-1- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)cn2)c1- InChIKey
TXSOKRWHYVPNSM-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O3
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 277.0254188
Names & identifiers
- Preferred name
- 2-((5-Chloro-pyridin-2-ylimino)-methyl)-4-nitro-phenol
- IUPAC
- 2-[(5-chloro-2-pyridinyl)iminomethyl]-4-nitrophenol
Names & synonyms
STL325973AKOS022142104ST010434(E)-2-(((5-chloropyridin-2-yl)imino)methyl)-4-nitrophenol2-[(1E)-2-(5-chloro(2-pyridyl))-2-azavinyl]-4-nitrophenol2-{(E)-[(5-chloropyridin-2-yl)imino]methyl}-4-nitrophenol2-((5-CHLORO-PYRIDIN-2-YLIMINO)-METHYL)-4-NITRO-PHENOL
Database identifiers
- CAS
329936-96-1- PubChem CID
- 710269
- EC Number
- 141-461-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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