Basic information
- CAS
55749-11-6- Standard SMILES
Cc1cc(C)nc(Oc2ccc(Br)cc2Br)n1- InChIKey
QIEUINGFNXXFDF-UHFFFAOYSA-N- Molecular formula
- C12H10Br2N2O
- Average molar mass
- 358.03 g/mol
- Monoisotopic mass
- 355.91599
Names & identifiers
- Preferred name
- 2-(2,4-Dibromophenoxy)-4,6-dimethylpyrimidine
- IUPAC
- 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine
- English name
- 2-(2,4-Dibromophenoxy)-4,6-dimethylpyrimidine
- Molecular formula
- C12H10Br2N2O
- Molecular weight
- 358.03
Names & synonyms
2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidineMLS000712094CHEMBL1572176HMS1675F15HMS2648C10AKOS000565280WAY-298761SMR000281861ST047995AG-690/13704243SR-01000424222SR-01000424222-1
Show more names
Pyrimidine, 2-(2,4-dibromophenoxy)-4,6-dimethyl-
1-(4,6-dimethylpyrimidin-2-yloxy)-2,4-dibromobenzene
Database identifiers
- CAS
55749-11-6- PubChem CID
- 978796
- ChEMBL
CHEMBL1572176- EC Number
- 120-966-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 435.091 · 435.091±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.694 · 1.694±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.708 · 2.708±0.10(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
0 records
No reaction records under the current filter.
Compound notes
Loading…