Basic information
- Standard SMILES
Cc1ccc2c(c1)N(CC(C)CI)C(=O)CO2- InChIKey
GRSJYHSWRWPUQB-UHFFFAOYSA-N- Molecular formula
- C13H16INO2
- Average molar mass
- 345.18 g/mol
Names & identifiers
- Preferred name
- 4-(3-iodo-2-methylpropyl)-6-methyl-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 4-(3-iodo-2-methylpropyl)-6-methyl-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL4091150GRSJYHSWRWPUQB-UHFFFAOYSA-N4-(3-iodo-2-methylpropyl)-6-methyl-4H-benzo[1,4]oxazin-3-one
Database identifiers
- PubChem CID
- 68908549
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
9 records
Compound notes
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