Diethyl 5-(chloromethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate
Basic information
- CAS
5408-12-8- Standard SMILES
CCOC(=O)c1[nH]c(CCl)c(C(=O)OCC)c1C- InChIKey
JILWNPCXUWNMRW-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4
- Average molar mass
- 273.71 g/mol
- Monoisotopic mass
- 273.0767857
Names & identifiers
- Preferred name
- Diethyl 5-(chloromethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 5-(chloromethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
5408-12-8diethyl 5-(chloromethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylateNSC10767DTXSID90278953NSC-10767
Database identifiers
- CAS
5408-12-8- PubChem CID
- 223281
- DTXSID
DTXSID90278953- Nikkaji
- J1.420.751A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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