Basic information
- CAS
7596-17-0- Standard SMILES
COc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
AVFPSKGQYHPUOX-UHFFFAOYSA-N- Molecular formula
- C14H10N2O7
- Average molar mass
- 318.24 g/mol
- Monoisotopic mass
- 318.04880066
Names & identifiers
- Preferred name
- (2-Methoxyphenyl) 3,5-dinitrobenzoate
- IUPAC
- (2-methoxyphenyl) 3,5-dinitrobenzoate
Names & synonyms
7596-17-0(2-methoxyphenyl) 3,5-dinitrobenzoateNSC405689DTXSID70324088AKOS008484529NSC-4056892-METHOXYPHENYL 3,5-DINITROBENZOATE
Database identifiers
- CAS
7596-17-0- PubChem CID
- 347178
- DTXSID
DTXSID70324088
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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