| CAS Number | 1289005-72-6 |
| Catalog Number | AG000YH3(AGN-PC-0WBR8K) |
| Chemical Name | Pyrimidine, 5-bromo-2-chloro-4-ethoxy- |
| IUPAC Name | 5-bromo-2-chloro-4-ethoxypyrimidine |
| InChI | InChI=1S/C6H6BrClN2O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3 |
| InChI Key | JLHYOQWWHLEBDO-UHFFFAOYSA-N |
| MDL Number | MFCD21789322 |
| Molecular Formula | C6H6BrClN2O |
| Molecular Weight | 237.4816 |
| SMILES | BrC=1C(=NC(=NC1)Cl)OCC |
| Synonyms | 5-bromo-2-chloro-4-ethoxypyrimidine,
1289005-72-6,
SCHEMBL2966721,
MFCD21789322,
ZINC74942548,
5-Bromo-2-chloro-4-ethoxy-pyrimidine,
AKOS017626833,
NE52247,
SB21878,
KS-0000083P,
AS-34880,
Pyrimidine, 5-bromo-2-chloro-4-ethoxy-,
CS-0050627,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.481g/mol |
| Monoisotopic Mass | 235.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number