Basic information
- Standard SMILES
N#Cc1ccc(C(=O)O)c(Cl)c1- InChIKey
VTROYYKGGOPEPS-UHFFFAOYSA-N- Molecular formula
- C8H4ClNO2
- Average molar mass
- 181.57 g/mol
- Monoisotopic mass
- 180.9930561
Names & identifiers
- Preferred name
- 2-Chloro-4-cyanobenzoic acid
- IUPAC
- 2-chloro-4-cyanobenzoic acid
Names & synonyms
2-chloro-4-cyanobenzoic acid117738-77-9Benzoic acid, 2-chloro-4-cyano-MFCD11036377NSC286942-chloro-4-cyanobenzoicacidSCHEMBL5085032-chloro-4-cyano-benzoic acidVTROYYKGGOPEPS-UHFFFAOYSA-NNSC-28694AKOS006306780DS-9258
Show more names
PB47135SY021876DB-355640CS-0042704F608340
Database identifiers
- PubChem CID
- 231894
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Related reactions
4 records
Compound notes
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