Basic information
- CAS
64037-08-7- Standard SMILES
Nc1nc2cc(Cl)c(Br)cc2o1- InChIKey
PEEJUZZCANIEIL-UHFFFAOYSA-N- Molecular formula
- C7H4BrClN2O
- Average molar mass
- 247.47 g/mol
- Monoisotopic mass
- 245.91955
Names & identifiers
- Preferred name
- 6-Bromo-5-chloro-2-benzoxazolamine
- IUPAC
- 6-bromo-5-chloro-1,3-benzoxazol-2-amine
- English name
- 2-Benzoxazolamine,6-bromo-5-chloro-
- Molecular formula
- C7H4BrClN2O
- Molecular weight
- 247.48
Names & synonyms
64037-08-7BENZOXAZOLE, 2-AMINO-6-BROMO-5-CHLORO-DTXSID102140306-Bromo-5-chloro-2-benzoxazolamineRefChem:1073837DTXCID101365216-bromo-5-chloro-1,3-benzoxazol-2-amine2-Benzoxazolamine, 6-bromo-5-chloro-6-Bromo-5-chlorobenzo[d]oxazol-2-amineMLS0026390292-Amino-6-bromo-5-chlorobenzoxazoleNSC24974
Show more names
2-Benzoxazolamine,6-bromo-5-chloro-6-bromo-5-chloro-benzooxazol-2-ylamine
CHEMBL2135096SCHEMBL10978336HMS3093J136-bromo-5-chloro-2-aminobenzoxazoleNSC 24974NSC-24974SMR001548485
Database identifiers
- CAS
64037-08-7- PubChem CID
- 46381
- DTXSID
DTXSID10214030- ChEMBL
CHEMBL2135096- Nikkaji
- J67.888K
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
- Melting point
- 237 · 237-239 °C
- Boiling point
- 287.5 °C · 287.5°C (rough estimate)
- Density
- 1.8014 · 1.8014 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- pka
- -0.94 · -0.94±0.30(Predicted)
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…