1-Methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfonylbenzene

HCID 230705

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Basic information

CAS: 5465-82-7
Standard SMILES: COc1ccc(C)cc1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-]
InChIKey: DXDOAQQENXKUMB-UHFFFAOYSA-N
Molecular formula: C15H15NO5S
Average molar mass: 321.3 g/mol
Monoisotopic mass: 321.06709375

Names & identifiers

Preferred name: 1-Methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfonylbenzene
IUPAC: 1-methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfonylbenzene

Names & synonyms

5465-82-71-methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfonylbenzeneNSC25845DTXSID50282435NSC-258451-Methoxy-4-methyl-2-(4-methyl-2-nitrobenzene-1-sulfonyl)benzene

Database identifiers

CAS: 5465-82-7
PubChem CID: 230705
DTXSID: DTXSID50282435

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 97.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 495

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