Completing data — usually done within a minute
Basic information
- CAS
100191-53-5- Standard SMILES
Cl.O=C(O)c1cnccc1Cl- InChIKey
FOZKIVKCLCCSBO-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2NO2
- Average molar mass
- 194.01 g/mol
Names & identifiers
- Preferred name
- 4-Chloronicotinic acid hydrochloride
- IUPAC
- 4-chloropyridine-3-carboxylic acid;hydrochloride
Names & synonyms
4-chloronicotinic acid hydrochloride100191-53-5BG35PA7T42SCHEMBL1942270FOZKIVKCLCCSBO-UHFFFAOYSA-NDB-1234333-Pyridinecarboxylic acid, 4-chloro-, hydrochloride3-Pyridinecarboxylic acid, 4-chloro-, hydrochloride (1:1)
Database identifiers
- CAS
100191-53-5- PubChem CID
- 67220186
- UNII
- BG35PA7T42
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Related reactions
2 records
Compound notes
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