Basic information
- Standard SMILES
Nc1ccc2c(Cl)c(OCCc3ccccc3)oc(=O)c2c1- InChIKey
JFVOJERZJGKGBY-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO3
- Average molar mass
- 315.7 g/mol
Names & identifiers
- Preferred name
- 7-Amino-4-chloro-3-[(2-phenyl)ethoxy]-1H-2-benzopyran-1-one
- IUPAC
- 7-amino-4-chloro-3-(2-phenylethoxy)isochromen-1-one
Names & synonyms
SCHEMBL7319011PD1945547-amino-4-chloro-3-(2-phenylethoxy)isocoumarin7-Amino-4-chloro-3-[(2-phenyl)ethoxy]-1H-2-benzopyran-1-one
Database identifiers
- PubChem CID
- 13654068
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
1 records
Compound notes
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