(3,5-Dimethyl-4-nitrophenyl)(morpholino)methanone

HCID 86697183

Notes Reactions

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Basic information

Standard SMILES: Cc1cc(C(=O)N2CCOCC2)cc(C)c1[N+](=O)[O-]
InChIKey: FNRCAXLJWSGHDT-UHFFFAOYSA-N
Molecular formula: C13H16N2O4
Average molar mass: 264.28 g/mol

Names & identifiers

Preferred name: (3,5-Dimethyl-4-nitrophenyl)(morpholino)methanone
IUPAC: (3,5-dimethyl-4-nitrophenyl)-morpholin-4-ylmethanone

Names & synonyms

SCHEMBL15262953FNRCAXLJWSGHDT-UHFFFAOYSA-NDB-145798(3,5-Dimethyl-4-nitrophenyl)(morpholino)methanone(3,5-Dimethyl-4-nitrophenyl)-4-morpholinylmethanone1458654-03-9

Database identifiers

PubChem CID: 86697183

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 337

Related reactions

2 records

New reaction record

HRID 237521As productuspto-grants-2014_02

HRID 237522As reactantuspto-grants-2014_02

Compound notes

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