N-(2-fluoro-4-nitro-5-carboxyphenyl)-2,3-dimethylmaleic acid imide
Basic information
- Standard SMILES
CC1=C(C)C(=O)N(c2cc(C(=O)O)c([N+](=O)[O-])cc2F)C1=O- InChIKey
XXKINXHDIBGLKL-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O6
- Average molar mass
- 308.22 g/mol
- Monoisotopic mass
- 308.04446417
Names & identifiers
- Preferred name
- N-(2-fluoro-4-nitro-5-carboxyphenyl)-2,3-dimethylmaleic acid imide
- IUPAC
- 5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-fluoro-2-nitrobenzoic acid
Names & synonyms
SCHEMBL10420667XXKINXHDIBGLKL-UHFFFAOYSA-NN-(2-fluoro-4-nitro-5-carboxyphenyl)-2,3-dimethylmaleic acid imideN-(2-fluoro-5-carboxy-4-nitrophenyl)-2,3-dimethylmaleic acid imide
Database identifiers
- PubChem CID
- 54493468
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 572
Related reactions
4 records
Compound notes
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