| CAS Number | 153124-37-9 |
| Catalog Number | AG00ANNW(AGN-PC-0NDFHO) |
| Chemical Name | (3-Bromo-5-methyl-isoxazol-4-yl)-methanol |
| IUPAC Name | (3-bromo-5-methyl-1,2-oxazol-4-yl)methanol |
| InChI | InChI=1S/C5H6BrNO2/c1-3-4(2-8)5(6)7-9-3/h8H,2H2,1H3 |
| InChI Key | NQASXFXJOHMFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD30181921 |
| Molecular Formula | C5H6BrNO2 |
| Molecular Weight | 192.0106 |
| SMILES | CC=1ON=C(Br)C1CO |
| Synonyms | (3-Bromo-5-methyl-isoxazol-4-yl)-methanol,
153124-37-9,
CID10954378,
(3-bromo-5-methylisoxazol-4-yl)methanol,
(3-bromo-5-methyl-1,2-oxazol-4-yl)methanol,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.012g/mol |
| Monoisotopic Mass | 190.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number