Basic information
- CAS
65117-76-2- Standard SMILES
COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)[nH]1- InChIKey
HQQDSFUPUSHONR-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- Methyl 4,5-diphenyl-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4,5-diphenyl-1H-pyrrole-2-carboxylate
Names & synonyms
Methyl 4,5-diphenyl-1H-pyrrole-2-carboxylate65117-76-2DTXSID00495250RefChem:355248DTXCID00446060
Database identifiers
- CAS
65117-76-2- PubChem CID
- 12378040
- DTXSID
DTXSID00495250- Nikkaji
- J2.411.264K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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