Basic information
- CAS
64037-09-8- Standard SMILES
Nc1nc2cc(Br)c(Cl)cc2o1- InChIKey
SMXDRKKGVLJUFQ-UHFFFAOYSA-N- Molecular formula
- C7H4BrClN2O
- Average molar mass
- 247.47 g/mol
- Monoisotopic mass
- 245.91955
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-5-bromo-6-chloro-
- IUPAC
- 5-bromo-6-chloro-1,3-benzoxazol-2-amine
- English name
- 5-Bromo-6-chloro-2-benzoxazolamine
- Molecular formula
- C7H4BrClN2O
- Molecular weight
- 247.48
Names & synonyms
2-Amino-5-bromo-6-chlorobenzoxazoleBENZOXAZOLE, 2-AMINO-5-BROMO-6-CHLORO-64037-09-8DTXSID70214031RefChem:328262DTXCID701365225-bromo-6-chloro-1,3-benzoxazol-2-amine5-Bromo-6-chloro-2-benzoxazolamineDB-3175012-Benzoxazolamine, 5-bromo-6-chloro-
Database identifiers
- CAS
64037-09-8- PubChem CID
- 46382
- DTXSID
DTXSID70214031- Nikkaji
- J67.889I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 287.5 °C · 287.5°C (rough estimate)
- Density
- 1.8014 · 1.8014 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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