Basic information
- CAS
545342-72-1- Standard SMILES
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1- InChIKey
SGWCWDUGKXERSJ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 5-methyl-N-(2-methyl-5-nitrophenyl)furan-2-carboxamide
- IUPAC
- 5-methyl-N-(2-methyl-5-nitrophenyl)furan-2-carboxamide
- English name
- 2-Furancarboxamide,5-methyl-N-(2-methyl-5-nitrophenyl)-(9CI)
- Molecular formula
- C13H12N2O4
- Molecular weight
- 260.25
Names & synonyms
545342-72-15-methyl-N-(2-methyl-5-nitrophenyl)furan-2-carboxamide2-Furancarboxamide,5-methyl-N-(2-methyl-5-nitrophenyl)-(9CI)SCHEMBL13219542STK439596AKOS001277714DB-323900ST50942179SR-01000258206SR-01000258206-1Z31687743(5-methyl(2-furyl))-N-(2-methyl-5-nitrophenyl)carboxamide
Show more names
2-FURANCARBOXAMIDE, 5-METHYL-N-(2-METHYL-5-NITROPHENYL)-
Database identifiers
- CAS
545342-72-1- PubChem CID
- 888011
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 331.3 · 331.3±42.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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