Basic information
- Standard SMILES
Nc1cc(OCC(F)F)c(C(=O)O)cc1[N+](=O)[O-]- InChIKey
XQCLNUPJDZRYAE-UHFFFAOYSA-N- Molecular formula
- C9H8F2N2O5
- Average molar mass
- 262.17 g/mol
- Monoisotopic mass
- 262.04012768
Names & identifiers
- Preferred name
- 2-(2,2-Difluoro-ethoxy)-4-amino-5-nitro-benzoic acid
- IUPAC
- 4-amino-2-(2,2-difluoroethoxy)-5-nitrobenzoic acid
Names & synonyms
2-(2,2-difluoro-ethoxy)-4-amino-5-nitro-benzoic acidSCHEMBL670299
Database identifiers
- PubChem CID
- 87139679
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
1 records
Compound notes
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