Basic information
- CAS
832738-23-5- Standard SMILES
Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1- InChIKey
NKVLRUWGBCMVPU-UHFFFAOYSA-N- Molecular formula
- C8H8F2N2O3
- Average molar mass
- 218.16 g/mol
- Monoisotopic mass
- 218.05029845
Names & identifiers
- Preferred name
- 3-(2,2-Difluoroethoxy)-5-nitroaniline
- IUPAC
- 3-(2,2-difluoroethoxy)-5-nitroaniline
- English name
- 3-(2,2-difluoroethoxy)-5-nitroaniline
- Molecular formula
- C8H8F2N2O3
- Molecular weight
- 218.16
Names & synonyms
3-(2,2-difluoroethoxy)-5-nitroaniline832738-23-53-(2,2-difluoroethoxy)-5-nitro-aniline5-(2,2-difluoroethoxy)-3-nitrophenylamine3-(2,2-Difluoro-ethoxy)-5-nitro-phenylamineMFCD03422530DTXSID301271192HIB73823SBB020886STK312563AKOS0003051293-(2,2-Difluoroethoxy)-5-nitrobenzenamine
Show more names
Benzenamine, 3-(2,2-difluoroethoxy)-5-nitro-
ST45091648EN300-228677
Database identifiers
- CAS
832738-23-5- PubChem CID
- 7019293
- DTXSID
DTXSID301271192
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 382.2 · 382.2±42.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 1.83 · 1.83±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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