Basic information
- CAS
1233860-22-4- Standard SMILES
O=[N+]([O-])c1cccc(F)c1N1CC[C@H](O)C1- InChIKey
JRYLCDDQJXVXBH-ZETCQYMHSA-N- Molecular formula
- C10H11FN2O3
- Average molar mass
- 226.2 g/mol
- Monoisotopic mass
- 226.07537038
Names & identifiers
- Preferred name
- (S)-1-(2-Fluoro-6-nitrophenyl)pyrrolidine-3-ol
- IUPAC
- (3S)-1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
- English name
- (S)-1-(2-Fluoro-6-nitrophenyl)pyrrolidine-3-ol
- Molecular formula
- C10H11FN2O3
- Molecular weight
- 226.2
Names & synonyms
(S)-1-(2-Fluoro-6-nitrophenyl)pyrrolidine-3-ol1233860-22-4(3S)-1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-olMFCD13689281(S)-1-(2-Fluoro-6-nitrophenyl)pyrrolidin-3-olAKOS026671588KS-5469F063449(3S)-1-(2-fluoro-6-nitro-phenyl)pyrrolidin-3-ol3-Pyrrolidinol, 1-(2-fluoro-6-nitrophenyl)-, (3S)-
Database identifiers
- CAS
1233860-22-4- PubChem CID
- 53255586
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 376.8 · 376.8±42.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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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