| CAS Number | 98546-57-7 |
| Catalog Number | AG019F11(AGN-PC-0WG3OK) |
| Chemical Name | 5-Bromo-3-isopropylpyrazin-2-ol |
| IUPAC Name | 5-bromo-3-propan-2-yl-1H-pyrazin-2-one |
| InChI | InChI=1S/C7H9BrN2O/c1-4(2)6-7(11)9-3-5(8)10-6/h3-4H,1-2H3,(H,9,11) |
| InChI Key | YWPGZPVXDBURAZ-UHFFFAOYSA-N |
| MDL Number | MFCD31555295 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | Brc1cnc(c(n1)C(C)C)O |
| Synonyms | 5-BROMO-3-ISOPROPYLPYRAZIN-2-OL,
98546-57-7,
SCHEMBL11221495,
YWPGZPVXDBURAZ-UHFFFAOYSA-N,
2-hydroxy-3-isopropyl-5-bromopyrazine,
CS-0037254,
5-bromo-3-isopropylpyrazin-2-ol(WXC06506),
|
| Complexity | 243 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.066g/mol |
| Monoisotopic Mass | 215.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number