2-Methylbutan-2-yl 4-nitrobenzoate
Basic information
- CAS
55705-62-9- Standard SMILES
CCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
VMRWBQDKXGUSOY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 2-Methylbutan-2-yl 4-nitrobenzoate
- IUPAC
- 2-methylbutan-2-yl 4-nitrobenzoate
Names & synonyms
55705-62-92-methylbutan-2-yl 4-nitrobenzoateNSC37270DTXSID70284456NSC-37270
Database identifiers
- CAS
55705-62-9- PubChem CID
- 235656
- DTXSID
DTXSID70284456
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
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Related reactions
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Compound notes
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