1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene

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Basic information

CAS: 972-48-5
Standard SMILES: COc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIKey: PMIUVKNSPHHSFH-UHFFFAOYSA-N
Molecular formula: C13H10N2O7S
Average molar mass: 338.29 g/mol
Monoisotopic mass: 338.02087184

Names & identifiers

Preferred name: 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
IUPAC: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene

Names & synonyms

972-48-5NSC 523959NSC5239591-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzeneDTXSID10326102PMIUVKNSPHHSFH-UHFFFAOYSA-N2,4-Dinitro-4'-methoxydiphenylsulfoneNSC-523959DS-0067452,4-Dinitrophenyl 4-methoxyphenyl sulfone #Benzene,1-[(4-methoxyphenyl)sulfonyl]-2,4-dinitro-

Database identifiers

CAS: 972-48-5
PubChem CID: 351906
DTXSID: DTXSID10326102
Nikkaji: J586.321J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 143 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 540

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Compound notes

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