5-(Nitrooxy)pentanoic acid pentafluorophenyl ester
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Basic information
- Standard SMILES
O=C(CCCCO[N+](=O)[O-])Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
UPADJIXRYFZEMN-UHFFFAOYSA-N- Molecular formula
- C11H8F5NO5
- Average molar mass
- 329.18 g/mol
- Monoisotopic mass
- 329.03226317
Names & identifiers
- Preferred name
- 5-(Nitrooxy)pentanoic acid pentafluorophenyl ester
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 5-nitrooxypentanoate
Names & synonyms
SCHEMBL3537574UPADJIXRYFZEMN-UHFFFAOYSA-N5-(nitrooxy)pentanoic acid pentafluorophenyl ester
Database identifiers
- PubChem CID
- 11638470
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
2 records
Compound notes
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