(5-Nitrofuran-2-yl)methyl 4-chlorobenzoate
Basic information
- CAS
25294-78-4- Standard SMILES
O=C(OCc1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1- InChIKey
NQCKQAMGKRSLFF-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO5
- Average molar mass
- 281.65 g/mol
- Monoisotopic mass
- 281.0091
Names & identifiers
- Preferred name
- (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate
- IUPAC
- (5-nitrofuran-2-yl)methyl 4-chlorobenzoate
Names & synonyms
25294-78-4(5-nitrofuran-2-yl)methyl 4-chlorobenzoateNSC111141Benzoic acid,4-chloro-, (5-nitro-2-furanyl)methyl esterDTXSID90296713NSC-111141DS-007181
Database identifiers
- CAS
25294-78-4- PubChem CID
- 269683
- DTXSID
DTXSID90296713
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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