Basic information
- Standard SMILES
N#Cc1c(Cl)ccc(C(=O)O)c1Cl- InChIKey
MHXAKISAXHNZEE-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2NO2
- Average molar mass
- 216.02 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-2,4-dichlorobenzoic acid
- IUPAC
- 2,4-dichloro-3-cyanobenzoic acid
Names & synonyms
3-cyano-2,4-dichlorobenzoic acid1807162-56-63-Cyano-2,4-dichlorobenzoicacid2,4-dichloro-3-cyanobenzoic acidMFCD28758617SCHEMBL8491415MHXAKISAXHNZEE-UHFFFAOYSA-N2,4-dichloro-3-cyano-benzoic acidCS-0193683E93771F631271
Database identifiers
- PubChem CID
- 54073181
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Related reactions
5 records
Compound notes
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