Basic information
- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(Oc2c(Cl)cncc2Cl)s1- InChIKey
DNGISKIGWINWSW-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N2O5S
- Average molar mass
- 349.1 g/mol
- Monoisotopic mass
- 347.9374479
Names & identifiers
- Preferred name
- Methyl 5-((3,5-dichloropyridin-4-yl)oxy)-4-nitrothiophene-2-carboxylate
- IUPAC
- methyl 5-[(3,5-dichloro-4-pyridinyl)oxy]-4-nitrothiophene-2-carboxylate
Names & synonyms
SCHEMBL2681289DNGISKIGWINWSW-UHFFFAOYSA-NMethyl 5-((3,5-dichloropyridin-4-yl)oxy)-4-nitrothiophene-2-carboxylate
Database identifiers
- PubChem CID
- 60207488
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
1 records
Compound notes
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