Basic information
- Standard SMILES
N#Cc1cc(=O)c2ccc(OCCCCl)cc2o1- InChIKey
FAYIFJJTQVTQJO-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO3
- Average molar mass
- 263.67 g/mol
Names & identifiers
- Preferred name
- 2-cyano-7-(3-chloropropyloxy)-4-oxo-4H-1-benzopyran
- IUPAC
- 7-(3-chloropropoxy)-4-oxochromene-2-carbonitrile
Names & synonyms
SCHEMBL8783854FAYIFJJTQVTQJO-UHFFFAOYSA-N2-cyano-7-(3-chloropropyloxy)-4-oxo-4H-1-benzopyran
Database identifiers
- PubChem CID
- 10422883
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
4 records
Compound notes
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