Basic information
- Standard SMILES
Cl.O=C(Cl)c1ccc(COC(=O)c2ccncc2)c([N+](=O)[O-])c1- InChIKey
BSESSDNKNYQFBV-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O5
- Average molar mass
- 357.1 g/mol
Names & identifiers
- Preferred name
- 4-Chlorocarbonyl-2-nitrobenzyl isonicotinate hydrochloride
- IUPAC
- (4-carbonochloridoyl-2-nitrophenyl)methyl pyridine-4-carboxylate;hydrochloride
Names & synonyms
SCHEMBL4522617BSESSDNKNYQFBV-UHFFFAOYSA-N4-chlorocarbonyl-2-nitrobenzyl isonicotinate hydrochloride
Database identifiers
- PubChem CID
- 86616680
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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