Basic information
- CAS
1233952-86-7- Standard SMILES
CC(C)(C)COc1c(F)cccc1[N+](=O)[O-]- InChIKey
YBIHLNHGCHEZNF-UHFFFAOYSA-N- Molecular formula
- C11H14FNO3
- Average molar mass
- 227.23 g/mol
- Monoisotopic mass
- 227.09577147
Names & identifiers
- Preferred name
- 1-Fluoro-2-(neopentyloxy)-3-nitrobenzene
- IUPAC
- 2-(2,2-dimethylpropoxy)-1-fluoro-3-nitrobenzene
- English name
- 1-Fluoro-2-(neopentyloxy)-3-nitrobenzene
- Molecular formula
- C11H14FNO3
- Molecular weight
- 227.23
Names & synonyms
1-Fluoro-2-(neopentyloxy)-3-nitrobenzene1233952-86-72-(2,2-dimethylpropoxy)-1-fluoro-3-nitrobenzeneMFCD17014084DTXSID501244725AKOS026671633KS-5551F0636472-(2,2-dimethylpropoxy)-1-fluoro-3-nitro-benzeneBenzene, 2-(2,2-dimethylpropoxy)-1-fluoro-3-nitro-
Database identifiers
- CAS
1233952-86-7- PubChem CID
- 53255751
- DTXSID
DTXSID501244725
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 310.9 · 310.9±22.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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