Basic information
- CAS
146795-27-9- Standard SMILES
COc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1- InChIKey
CDXQGIWEWRPRRL-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S
- Average molar mass
- 278.29 g/mol
- Monoisotopic mass
- 278.03612798
Names & identifiers
- Preferred name
- 3-Thiophenecarboxamide, N-(3-methoxyphenyl)-5-nitro-
- IUPAC
- N-(3-methoxyphenyl)-5-nitrothiophene-3-carboxamide
Names & synonyms
CCRIS 6461N-(3-Methoxyphenyl)-5-nitro-3-thiophenecarboxamide3-Thiophenecarboxamide, N-(3-methoxyphenyl)-5-nitro-146795-27-9DTXSID50163477RefChem:282762DTXCID9085968N-(3-methoxyphenyl)-5-nitrothiophene-3-carboxamide
Database identifiers
- CAS
146795-27-9- PubChem CID
- 154607
- DTXSID
DTXSID50163477
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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