(5-Nitrofuran-2-yl)methyl 3-chloropropanoate
Basic information
- CAS
13295-81-3- Standard SMILES
O=C(CCCl)OCc1ccc([N+](=O)[O-])o1- InChIKey
WOHKMXWHZYDNNR-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO5
- Average molar mass
- 233.6 g/mol
- Monoisotopic mass
- 233.0091
Names & identifiers
- Preferred name
- (5-Nitrofuran-2-yl)methyl 3-chloropropanoate
- IUPAC
- (5-nitrofuran-2-yl)methyl 3-chloropropanoate
Names & synonyms
(5-nitrofuran-2-yl)methyl 3-chloropropanoate13295-81-3NSC4099DTXSID60277776NSC-4099
Database identifiers
- CAS
13295-81-3- PubChem CID
- 220795
- DTXSID
DTXSID60277776
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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