| CAS Number | 886365-64-6 |
| Catalog Number | AG004AEU(AGN-PC-0WNOQN) |
| Chemical Name | 5-Bromo-2-propoxypyrimidine |
| IUPAC Name | 5-bromo-2-propoxypyrimidine |
| InChI | InChI=1S/C7H9BrN2O/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3 |
| InChI Key | XRSHLCWIQIJJDH-UHFFFAOYSA-N |
| MDL Number | MFCD07375138 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | CCCOc1ncc(cn1)Br |
| Synonyms | 5-BROMO-2-PROPOXYPYRIMIDINE,
886365-64-6,
ACMC-209qve,
SCHEMBL19582886,
CTK5G1016,
DTXSID00633579,
ANW-39096,
MFCD07375138,
ZINC65337459,
5-BROMO-2-PROPOXY-PYRIMIDINE,
AKOS013180482,
AB41267,
AJ-115165,
TR-038201,
V8664,
B-4024,
I03-770,
C7H9BrN2O,
N/A,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.066g/mol |
| Monoisotopic Mass | 215.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number