1-(4-(4-Methylpyrazin-1(4H)-yl)-3-nitrophenyl)ethanone
Basic information
- CAS
887595-37-1- Standard SMILES
CC(=O)c1ccc(N2C=CN(C)C=C2)c([N+](=O)[O-])c1- InChIKey
SSEYVQNJEKFJCO-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 1-(4-(4-Methylpyrazin-1(4H)-yl)-3-nitrophenyl)ethanone
- IUPAC
- 1-[4-(4-methylpyrazin-1-yl)-3-nitrophenyl]ethanone
- English name
- 1-[4-(4-Methyl-4H-pyrazin-1-yl)-3-nitro-phenyl]-ethanone
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
887595-37-11-(4-(4-Methylpyrazin-1(4H)-yl)-3-nitrophenyl)ethanoneDTXSID006951171-[4-(4-Methylpyrazin-1(4H)-yl)-3-nitrophenyl]ethan-1-one1-[4-(4-methylpyrazin-1-yl)-3-nitrophenyl]ethanone1-[4-(4-Methyl-4H-pyrazin-1-yl)-3-nitro-phenyl]-ethanone
Database identifiers
- CAS
887595-37-1- PubChem CID
- 53403142
- DTXSID
DTXSID00695117
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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