Basic information
- CAS
179315-50-5- Standard SMILES
Clc1cc(Br)c2oc(-c3ccccc3Cl)nc2c1- InChIKey
XLOPDLQDZCXEDJ-UHFFFAOYSA-N- Molecular formula
- C13H6BrCl2NO
- Average molar mass
- 343 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-5-chloro-2-(2-chlorophenyl)-1,3-benzoxazole
- IUPAC
- 7-bromo-5-chloro-2-(2-chlorophenyl)-1,3-benzoxazole
- English name
- 7-Bromo-5-chloro-2-(2-chlorophenyl)-1,3-benzoxazole
- Molecular formula
- C13H6BrCl2NO
- Molecular weight
- 343
Names & synonyms
7-bromo-5-chloro-2-(2-chlorophenyl)-1,3-benzoxazoleSCHEMBL7735657XLOPDLQDZCXEDJ-UHFFFAOYSA-NAKOS024405754ST512241417-bromo-5-chloro-2-(2-chlorophenyl)-benzoxazoleBenzoxazole, 7-bromo-5-chloro-2-(2-chlorophenyl)-
Database identifiers
- CAS
179315-50-5- PubChem CID
- 4639254
- EC Number
- 123-269-7
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 407.85 · 407.850±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.674 · 1.674±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.771 · -2.771±0.30(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
4 records
Compound notes
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