Basic information
- CAS
81117-79-5- Standard SMILES
Cn1c(=O)oc2cc(N)c(Br)cc21- InChIKey
SPDFGHQUDGLHDG-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O2
- Average molar mass
- 243.06 g/mol
- Monoisotopic mass
- 241.96909
Names & identifiers
- Preferred name
- 6-Amino-5-bromo-3-methyl-1,3-benzoxazol-2-one
- IUPAC
- 6-amino-5-bromo-3-methyl-1,3-benzoxazol-2-one
Names & synonyms
NSC35540281117-79-5DTXSID10320165NSC-3554026-Amino-5-bromo-3-methyl-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
81117-79-5- PubChem CID
- 337465
- DTXSID
DTXSID10320165
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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