Basic information
- CAS
4457-42-5- Standard SMILES
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1F- InChIKey
IHFYEWZOGRAPDS-UHFFFAOYSA-N- Molecular formula
- C14H10FNO4
- Average molar mass
- 275.23 g/mol
- Monoisotopic mass
- 275.05938596
Names & identifiers
- Preferred name
- 4-Nitrobenzyl 2-fluorobenzoate
- IUPAC
- (4-nitrophenyl)methyl 2-fluorobenzoate
Names & synonyms
4-nitrobenzyl 2-fluorobenzoate4457-42-5(4-nitrophenyl)methyl 2-fluorobenzoateBenzoic acid, 2-fluoro-, (4-nitrophenyl)methyl esterDTXSID901217730STK862749AKOS000419742SR-01000273137SR-01000273137-1Z19798269
Database identifiers
- CAS
4457-42-5- PubChem CID
- 2201283
- DTXSID
DTXSID901217730
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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