Methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
Basic information
- CAS
259099-49-5- Standard SMILES
COC(=O)c1cccn1-c1ccc(F)cc1- InChIKey
VCKNFLYFRCDYHY-UHFFFAOYSA-N- Molecular formula
- C12H10FNO2
- Average molar mass
- 219.21 g/mol
- Monoisotopic mass
- 219.06955672
Names & identifiers
- Preferred name
- Methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
- IUPAC
- methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
Names & synonyms
methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate259099-49-5methyl 1-(4-fluorophenyl)-1H-pyrrole-2-carboxylateMaybridge1_007723HMS563H01DTXSID60372396CCG-250241
Database identifiers
- CAS
259099-49-5- PubChem CID
- 2740902
- DTXSID
DTXSID60372396
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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