Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccccc2F)[nH]c1Cl- InChIKey
XKHNEVMEVCRYQH-UHFFFAOYSA-N- Molecular formula
- C13H11ClFNO2
- Average molar mass
- 267.68 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
Names & synonyms
Ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate881674-01-7Vonoprazan Impurity 190MFCD11875835Vonoprazan-054Vonoprazan Impurity 73Vonoprazan Impurity 131TAK438 Impurity 190SCHEMBL1156526SCHEMBL30544723XKHNEVMEVCRYQH-UHFFFAOYSA-N1H-Pyrrole-3-carboxylic acid, 2-chloro-5-(2-fluorophenyl)-, ethyl ester
Show more names
SY346768DB-124769H82552
Database identifiers
- PubChem CID
- 66924835
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
17 records
Compound notes
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