| CAS Number | 1017789-04-6 |
| Catalog Number | AG008S8Y(AGN-PC-0WQYCW) |
| Chemical Name | 2-(5-Bromo-pyrimidin-2-yloxy)-benzonitrile |
| IUPAC Name | 2-(5-bromopyrimidin-2-yl)oxybenzonitrile |
| InChI | InChI=1S/C11H6BrN3O/c12-9-6-14-11(15-7-9)16-10-4-2-1-3-8(10)5-13/h1-4,6-7H |
| InChI Key | ZUOADFNKCASAFB-UHFFFAOYSA-N |
| MDL Number | MFCD09991555 |
| Molecular Formula | C11H6BrN3O |
| Molecular Weight | 276.0888 |
| SMILES | BrC1=CN=C(OC2=CC=CC=C2C#N)N=C1 |
| Synonyms | 2-(5-Bromo-pyrimidin-2-yloxy)-benzonitrile,
1017789-04-6,
2-((5-Bromopyrimidin-2-yl)oxy)benzonitrile,
2-[(5-BROMOPYRIMIDIN-2-YL)OXY]BENZONITRILE,
CTK4A0232,
DTXSID40650604,
MFCD09991555,
ZINC16696649,
AKOS013181496,
2-(5-bromopyrimidin-2-yloxy)benzonitrile,
AS-31368,
RT-016482,
2-[(5-Bromo-2-pyrimidinyl)oxy]benzonitrile,
A-2078,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.093g/mol |
| Monoisotopic Mass | 274.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number