Basic information
- Standard SMILES
O=C1COc2ccc(C(=O)CCCCCBr)cc2N1- InChIKey
RUTFYZYUJAEYSM-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO3
- Average molar mass
- 326.19 g/mol
Names & identifiers
- Preferred name
- 6-(6-Bromohexanoyl)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-(6-bromohexanoyl)-4H-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL4861393RUTFYZYUJAEYSM-UHFFFAOYSA-N6-(6-Bromohexanoyl)-2H-1,4-benzoxazin-3 (4H)-one6-(6-Bromohexanoyl)-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- PubChem CID
- 21886993
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
4 records
Compound notes
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