Basic information
- Standard SMILES
C#Cc1cccc(NC(=O)C(Cl)Cl)c1- InChIKey
LAGAAAJXCBASOQ-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2NO
- Average molar mass
- 228.07 g/mol
- Monoisotopic mass
- 226.9904692
Names & identifiers
- Preferred name
- 2,2-Dichloro-N-(3-ethynylphenyl) Acetamide
- IUPAC
- 2,2-dichloro-N-(3-ethynylphenyl)acetamide
Names & synonyms
524685-48-1SCHEMBL4868789CHEMBL1240869LAGAAAJXCBASOQ-UHFFFAOYSA-NDB-0873012,2-Dichloro-N-(3-ethynylphenyl) Acetamide
Database identifiers
- PubChem CID
- 2804962
- ChEMBL
CHEMBL1240869
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Related reactions
7 records
Compound notes
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