| CAS Number | 315189-72-1 |
| Catalog Number | AG01B1PM(AGN-PC-0WOMQZ) |
| Chemical Name | 4-(3-Bromophenoxy)pyrimidine |
| IUPAC Name | 4-(3-bromophenoxy)pyrimidine |
| InChI | InChI=1S/C10H7BrN2O/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h1-7H |
| InChI Key | YEYYAGSOCKEGER-UHFFFAOYSA-N |
| MDL Number | MFCD14605500 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | BrC1=CC(OC2=NC=NC=C2)=CC=C1 |
| Synonyms | 4-(3-bromophenoxy)pyrimidine,
315189-72-1,
ZINC40862837,
AKOS010502455,
MCULE-5893703514,
NE45951,
A1-02472,
Z1646064181,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number