Ethyl 5-{[(chloroacetyl)amino]methyl}furan-2-carboxylate
Basic information
- CAS
5445-00-1- Standard SMILES
CCOC(=O)c1ccc(CNC(=O)CCl)o1- InChIKey
RIZCOOSPIUVTAU-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO4
- Average molar mass
- 245.66 g/mol
- Monoisotopic mass
- 245.0454856
Names & identifiers
- Preferred name
- Ethyl 5-{[(chloroacetyl)amino]methyl}furan-2-carboxylate
- IUPAC
- ethyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylate
Names & synonyms
5445-00-1ethyl 5-{[(chloroacetyl)amino]methyl}furan-2-carboxylateEthyl 5-((2-chloroacetamido)methyl)furan-2-carboxylateETHYL 5-[(2-CHLOROACETAMIDO)METHYL]FURAN-2-CARBOXYLATEethyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylateNSC19430DTXSID60280962NSC-19430Z1562147226
Database identifiers
- CAS
5445-00-1- PubChem CID
- 227589
- DTXSID
DTXSID60280962
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…