1-(Methoxycarbonyl)-2,4-dinitrobenzene
Basic information
- CAS
18959-17-6- Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
WEUVWLHWKLGWBJ-UHFFFAOYSA-N- Molecular formula
- C8H6N2O6
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 226.02258592
Names & identifiers
- Preferred name
- 1-(Methoxycarbonyl)-2,4-dinitrobenzene
- IUPAC
- methyl 2,4-dinitrobenzoate
- English name
- Methyl 2,4-dinitrobenzoate
- Molecular formula
- C8H6N2O6
- Molecular weight
- 226.14
Names & synonyms
18959-17-6DTXSID808925861-(Methoxycarbonyl)-2,4-dinitrobenzeneRefChem:1054706DTXCID601253795Methyl 2,4-dinitrobenzoateBenzoic acid, 2,4-dinitro-, methyl esterMFCD00017563Benzoic acid, 2,4-diniro-, methyl esterSCHEMBL6960197SCHEMBL6960199WEUVWLHWKLGWBJ-UHFFFAOYSA-N
Show more names
2,4-Dinitro-benzoicacidmethylester
STK386187AKOS0054309752,4-Dinitro-benzoic acid methyl esterGS-6783SY531907ST51060321
Database identifiers
- CAS
18959-17-6- PubChem CID
- 75916
- DTXSID
DTXSID80892586- Nikkaji
- J127.899A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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