Benzonitrile, 2-(2-methoxyphenoxy)-5-nitro-
Basic information
- CAS
99902-80-4- Standard SMILES
COc1ccccc1Oc1ccc([N+](=O)[O-])cc1C#N- InChIKey
MVAGPMJEEXKHHM-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- Benzonitrile, 2-(2-methoxyphenoxy)-5-nitro-
- IUPAC
- 2-(2-methoxyphenoxy)-5-nitrobenzonitrile
Names & synonyms
Benzonitrile, 2-(2-methoxyphenoxy)-5-nitro-2-(2-methoxyphenoxy)-5-nitrobenzonitrile99902-80-4CHEMBL133137DTXSID60244322EBC-13101AKOS0172619272-(2-methoxyphenoxy)-5-nitro-benzonitrileEN300-26867029SR-01000074769SR-01000074769-1Z31211655
Database identifiers
- CAS
99902-80-4- PubChem CID
- 514845
- DTXSID
DTXSID60244322- ChEMBL
CHEMBL133137
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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