2-[(4-Nitrophenyl)methylideneamino]benzoic acid
Basic information
- CAS
42027-64-5- Standard SMILES
O=C(O)c1ccccc1N=Cc1ccc([N+](=O)[O-])cc1- InChIKey
WGWOBUKSHSSVOI-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- 2-[(4-Nitrophenyl)methylideneamino]benzoic acid
- IUPAC
- 2-[(4-nitrophenyl)methylideneamino]benzoic acid
Names & synonyms
42027-64-52-[(4-nitrophenyl)methylideneamino]benzoic acidNSC405397DTXSID90323997AKOS027461539NSC-4053972-carboxy-N-(4-nitrobenzylidene)aniline2-{(E)-[(4-Nitrophenyl)methylidene]amino}benzoic acid
Database identifiers
- CAS
42027-64-5- PubChem CID
- 346989
- DTXSID
DTXSID90323997
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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