3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-
Basic information
- CAS
145440-94-4- Standard SMILES
Cc1cc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])no1- InChIKey
BTANXWFNWKZOAO-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-
- IUPAC
- 5-methyl-N-(2-methyl-6-nitrophenyl)-1,2-oxazole-3-carboxamide
- English name
- 5-methyl-N-(2-methyl-6-nitro-phenyl)oxazole-3-carboxamide
- Molecular formula
- C12H11N3O4
- Molecular weight
- 261.23
Names & synonyms
145440-94-43-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-RefChem:10680885-methyl-N-(2-methyl-6-nitrophenyl)-1,2-oxazole-3-carboxamide5-Methyl-N-(2-methyl-6-nitrophenyl)isoxazole-3-carboxamideBRN 5821034DTXSID509326005-Methyl-N-(2-methyl-6-nitrophenyl)-3-isoxazolecarboxamide5-methyl-N-(2-methyl-6-nitro-phenyl)oxazole-3-carboxamide
Database identifiers
- CAS
145440-94-4- PubChem CID
- 3073015
- DTXSID
DTXSID50932600- Nikkaji
- J517.263B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 369.6 · 369.6±42.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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