| CAS Number | 1275391-61-1 |
| Catalog Number | AG01B2H2 |
| Chemical Name | 5-bromo-2-(2,4-dichlorophenoxy)pyrimidine |
| IUPAC Name | 5-bromo-2-(2,4-dichlorophenoxy)pyrimidine |
| InChI | InChI=1S/C10H5BrCl2N2O/c11-6-4-14-10(15-5-6)16-9-2-1-7(12)3-8(9)13/h1-5H |
| InChI Key | OGSGGHXIEGDQEL-UHFFFAOYSA-N |
| MDL Number | MFCD19198901 |
| Molecular Formula | C10H5BrCl2N2O |
| Molecular Weight | 319.9695 |
| SMILES | ClC1=CC(Cl)=C(OC2=NC=C(Br)C=N2)C=C1 |
| Synonyms | 5-bromo-2-(2,4-dichlorophenoxy)pyrimidine,
1275391-61-1,
ZINC67119727,
AKOS006283114,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.967g/mol |
| Monoisotopic Mass | 317.896g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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