Basic information
- Standard SMILES
CCn1cc(C#Cc2cccc(OC)c2)cc1C(=O)Cl- InChIKey
VUSUIFKDLQVQQD-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-4-(3-methoxy-phenylethynyl)-1H-pyrrole-2-carboxylic acid chloride
- IUPAC
- 1-ethyl-4-[2-(3-methoxyphenyl)ethynyl]pyrrole-2-carbonyl chloride
Names & synonyms
SCHEMBL3574553VUSUIFKDLQVQQD-UHFFFAOYSA-N1-Ethyl-4-(3-methoxy-phenylethynyl)-1H-pyrrole-2-carboxylic acid chloride
Database identifiers
- PubChem CID
- 87542585
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
2 records
Compound notes
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