(5-Nitrofuran-2-yl)methyl 2-chloroacetate
Basic information
- CAS
6628-60-0- Standard SMILES
O=C(CCl)OCc1ccc([N+](=O)[O-])o1- InChIKey
KRWLBDULKGWLPN-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO5
- Average molar mass
- 219.58 g/mol
- Monoisotopic mass
- 218.99345
Names & identifiers
- Preferred name
- (5-Nitrofuran-2-yl)methyl 2-chloroacetate
- IUPAC
- (5-nitrofuran-2-yl)methyl 2-chloroacetate
Names & synonyms
(5-nitrofuran-2-yl)methyl 2-chloroacetate6628-60-0(5-nitrofuran-2-yl)methyl chloroacetateNSC60916SCHEMBL11731699DTXSID30984824NSC-60916
Database identifiers
- CAS
6628-60-0- PubChem CID
- 247115
- DTXSID
DTXSID30984824
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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