(5-Bromo-3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
Basic information
- CAS
81117-83-1- Standard SMILES
Cn1c(=O)oc2cc(NC(N)=O)c(Br)cc21- InChIKey
HWNGSQVZSFPEJK-UHFFFAOYSA-N- Molecular formula
- C9H8BrN3O3
- Average molar mass
- 286.08 g/mol
- Monoisotopic mass
- 284.9749
Names & identifiers
- Preferred name
- (5-Bromo-3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
- IUPAC
- (5-bromo-3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
Names & synonyms
NSC35540681117-83-1DTXSID30320167NSC-355406N-(5-Bromo-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
Database identifiers
- CAS
81117-83-1- PubChem CID
- 337467
- DTXSID
DTXSID30320167
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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