Basic information
- Standard SMILES
COc1ccc2c(c1)N(CC(C)CI)C(=O)CO2- InChIKey
PXJPMAUXSFTDOP-UHFFFAOYSA-N- Molecular formula
- C13H16INO3
- Average molar mass
- 361.17 g/mol
Names & identifiers
- Preferred name
- 4-(3-Iodo-2-methylpropyl)-6-methoxy-1,4-benzoxazin-3-one
- IUPAC
- 4-(3-iodo-2-methylpropyl)-6-methoxy-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL4100446
Database identifiers
- PubChem CID
- 68912042
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
5 records
Compound notes
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