5-Bromo-2-(4-chlorophenoxy)pyrimidine
Basic information
- CAS
887430-82-2- Standard SMILES
Clc1ccc(Oc2ncc(Br)cn2)cc1- InChIKey
QMUBZNPFNHJZFN-UHFFFAOYSA-N- Molecular formula
- C10H6BrClN2O
- Average molar mass
- 285.52 g/mol
- Monoisotopic mass
- 283.9352
Names & identifiers
- Preferred name
- 5-Bromo-2-(4-chlorophenoxy)pyrimidine
- IUPAC
- 5-bromo-2-(4-chlorophenoxy)pyrimidine
- English name
- 5-Bromo-2-(4-chlorophenoxy)pyrimidine
- Molecular formula
- C10H6BrClN2O
- Molecular weight
- 285.52
Names & synonyms
5-bromo-2-(4-chlorophenoxy)pyrimidine887430-82-2MFCD03646337Pyrimidine,5-bromo-2-(4-chlorophenoxy)-SCHEMBL22404982DTXSID00405591AKOS013182001SB57994AS-313715-Bromo-2-(4-chloro-phenoxy)-pyrimidineDB-078150CS-0171000
Show more names
Pyrimidine, 5-bromo-2-(4-chlorophenoxy)-5-Bromo-2-(4-chlorophenoxy)pyrimidine, CAS 887430-82-2
F036457
Database identifiers
- CAS
887430-82-2- PubChem CID
- 4689130
- DTXSID
DTXSID00405591
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 398.6 · 398.6±48.0 °C(Predicted)
- Density
- 1.635 · 1.635±0.06 g/cm3(Predicted)
- pka
- -1.24 · -1.24±0.22(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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