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Basic information
- CAS
57191-39-6- Standard SMILES
O=C=Nc1ccc(Oc2cccc(Cl)n2)cc1- InChIKey
BWEDGBISICVOKL-UHFFFAOYSA-N- Molecular formula
- C12H7ClN2O2
- Average molar mass
- 246.65 g/mol
- Monoisotopic mass
- 246.01960514
Names & identifiers
- Preferred name
- 2-Chloro-6-(4-isocyanatophenoxy)pyridine
- IUPAC
- 2-chloro-6-(4-isocyanatophenoxy)pyridine
Names & synonyms
2-Chloro-6-(4-isocyanatophenoxy)pyridine57191-39-6SCHEMBL11686641DTXSID70612871BWEDGBISICVOKL-UHFFFAOYSA-N4-((6-chloro-2-pyridinyl)oxy)phenyl isocyanate
Database identifiers
- CAS
57191-39-6- PubChem CID
- 21391491
- DTXSID
DTXSID70612871
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
6 records
Compound notes
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