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Basic information
- Standard SMILES
N#Cc1cnn(-c2ccc(Cl)c(Cl)c2Cl)c1C=CC(=O)O- InChIKey
CFBMPMDLIOTXRZ-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3N3O2
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 340.95256
Names & identifiers
- Preferred name
- 3-[4-cyano-1-(2,3,4-trichlorophenyl)-1H-pyrazol-5-yl]acrylic acid
- IUPAC
- 3-[4-cyano-1-(2,3,4-trichlorophenyl)pyrazol-5-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL9453096CFBMPMDLIOTXRZ-UHFFFAOYSA-N3-[4-cyano-1-(2,3,4-trichlorophenyl)-1H-pyrazol-5-yl]acrylic acid
Database identifiers
- PubChem CID
- 53717732
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
2 records
Compound notes
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