2,2-Dimethylpropyl 4-nitrobenzoate
Basic information
- CAS
3581-73-5- Standard SMILES
CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
OKBJGMCNFJRTJG-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 2,2-Dimethylpropyl 4-nitrobenzoate
- IUPAC
- 2,2-dimethylpropyl 4-nitrobenzoate
- English name
- p-Nitrobenzoic acid neopentyl ester
- Molecular weight
- 0
Names & synonyms
2,2-dimethylpropyl 4-nitrobenzoate3581-73-5DTXSID00337904RefChem:243612DTXCID902889911-Propanol, 2,2-dimethyl-, 4-nitrobenzoatep-Nitrobenzoic acid neopentyl ester1-Propanol, 2,2-dimethyl-, p-nitrobenzoateNeopentyl 4-nitrobenzoate #SCHEMBL18293614OKBJGMCNFJRTJG-UHFFFAOYSA-N4-Nitrobenzoic acid, 2,2-dimethylpropyl ester
Show more names
neopentyl 4-nitrobenzoate
Database identifiers
- CAS
3581-73-5- PubChem CID
- 545444
- DTXSID
DTXSID00337904- Nikkaji
- J99.772B
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 282
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Related reactions
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Compound notes
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