1,2-Dimethoxy-5-methyl-3,4-dinitro-benzene

HCID 348136

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Basic information

CAS: 7509-10-6
Standard SMILES: COc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1OC
InChIKey: MZJZABWSIXCWBX-UHFFFAOYSA-N
Molecular formula: C9H10N2O6
Average molar mass: 242.19 g/mol
Monoisotopic mass: 242.05388604

Names & identifiers

Preferred name: 1,2-Dimethoxy-5-methyl-3,4-dinitro-benzene
IUPAC: 1,2-dimethoxy-5-methyl-3,4-dinitrobenzene

Names & synonyms

7509-10-61,2-dimethoxy-5-methyl-3,4-dinitro-benzene4,5-dimethoxy-2,3-dinitro-tolueneNSC4072501,2-dimethoxy-5-methyl-3,4-dinitrobenzeneSCHEMBL2846191DTXSID30324620MZJZABWSIXCWBX-UHFFFAOYSA-NNSC-407250DB-331839

Database identifiers

CAS: 7509-10-6
PubChem CID: 348136
DTXSID: DTXSID30324620

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 110 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 299

Related reactions

1 records

New reaction record

HRID 220276As reactantuspto-grants-2012_06

Compound notes

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