Basic information
- CAS
21441-07-6- Standard SMILES
CC(C)CN1C(=O)OC(C)(C)c2cc(Br)ccc21- InChIKey
YOSNBAAGDFSZHM-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.05209
Names & identifiers
- Preferred name
- 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-
- IUPAC
- 6-bromo-4,4-dimethyl-1-(2-methylpropyl)-3,1-benzoxazin-2-one
Names & synonyms
BRN 112307721441-07-62H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-DTXSID301757151,4-Dihydro-6-bromo-4,4-dimethyl-1-isobutyl-2H-3,1-benzoxazin-2-oneRefChem:268404DTXCID10982066-bromo-4,4-dimethyl-1-(2-methylpropyl)-1,4-dihydro-2h-3,1-benzoxazin-2-one
Database identifiers
- CAS
21441-07-6- PubChem CID
- 210619
- DTXSID
DTXSID30175715
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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