Basic information
- CAS
28993-10-4- Standard SMILES
Cc1c(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)c(C=O)n1-c1ccccc1- InChIKey
UMEFZJZLFDGLGM-UHFFFAOYSA-N- Molecular formula
- C19H14N2O5
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.09027155
Names & identifiers
- Preferred name
- 5-Formyl-2-methyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-formyl-2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylic acid
Names & synonyms
28993-10-4NSC215994DTXSID103097935-Formyl-2-methyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrrole-3-carboxylic acidNSC-215994
Database identifiers
- CAS
28993-10-4- PubChem CID
- 310862
- DTXSID
DTXSID10309793
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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