Basic information
- Standard SMILES
COC(=O)c1cc(C=O)c(I)n1Cc1ccccc1- InChIKey
HCAGKFRIVMOROT-UHFFFAOYSA-N- Molecular formula
- C14H12INO3
- Average molar mass
- 369.15 g/mol
Names & identifiers
- Preferred name
- Methyl 1-benzyl-4-formyl-5-iodo-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 1-benzyl-4-formyl-5-iodopyrrole-2-carboxylate
Names & synonyms
SCHEMBL2684278HCAGKFRIVMOROT-UHFFFAOYSA-NMethyl 1-benzyl-4-formyl-5-iodo-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 86664847
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
8 records
Compound notes
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