Basic information
- Standard SMILES
O=C=Nc1ccc(OCc2nc(Cl)ccc2Cl)cc1- InChIKey
NLZWTUXZGHZVFT-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O2
- Average molar mass
- 295.12 g/mol
- Monoisotopic mass
- 293.99628286
Names & identifiers
- Preferred name
- 3,6-Dichloro-2-[(4-isocyanatophenoxy)methyl]pyridine
- IUPAC
- 3,6-dichloro-2-[(4-isocyanatophenoxy)methyl]pyridine
Names & synonyms
3,6-Dichloro-2-[(4-isocyanatophenoxy)methyl]pyridine3,6-dichloro-2-((4-isocyanatophenoxy)methyl)pyridine58804-00-53,6-dichloro-2-((4-isocyanatophenoxy)methyl)-pyridineSCHEMBL11608312DTXSID00606147NLZWTUXZGHZVFT-UHFFFAOYSA-N3,6dichloro-2-((4-isocyanatophenoxy)methyl)pyridine
Database identifiers
- CAS
58804-00-5- PubChem CID
- 20366169
- DTXSID
DTXSID00606147
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
14 records
Linked notes
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