1-(Benzyloxy)-4,5-dimethoxy-2-nitrobenzene

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Basic information

CAS: 30058-43-6
Standard SMILES: COc1cc(OCc2ccccc2)c([N+](=O)[O-])cc1OC
InChIKey: JRWNLLWXRLZWQK-UHFFFAOYSA-N
Molecular formula: C15H15NO5
Average molar mass: 289.28 g/mol
Monoisotopic mass: 289.09502258

Names & identifiers

Preferred name: 1-(Benzyloxy)-4,5-dimethoxy-2-nitrobenzene
IUPAC: 1,2-dimethoxy-4-nitro-5-phenylmethoxybenzene

Names & synonyms

30058-43-61-(benzyloxy)-4,5-dimethoxy-2-nitrobenzeneNSC139634Benzene,1,2-dimethoxy-4-nitro-5-(phenylmethoxy)-SCHEMBL11232948DTXSID00300875JRWNLLWXRLZWQK-UHFFFAOYSA-NNSC-1396342-benzyloxy-4,5-dimethoxy-nitrobenzeneDS-009982

Database identifiers

CAS: 30058-43-6
PubChem CID: 284047
DTXSID: DTXSID00300875

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 73.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 327

Related reactions

2 records

New reaction record

HRID 1394990As productuspto-grants-1980_05

HRID 1394992As reactantuspto-grants-1980_05

Compound notes

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