| CAS Number | 31561-94-1 |
| Catalog Number | AG00CZ5N(AGN-PC-0R6XUI) |
| Chemical Name | 4-Bromo-1,2-oxazol-3-ol |
| IUPAC Name | 4-bromo-1,2-oxazol-3-one |
| InChI | InChI=1S/C3H2BrNO2/c4-2-1-7-5-3(2)6/h1H,(H,5,6) |
| InChI Key | UMYDUNFWOVFVDO-UHFFFAOYSA-N |
| MDL Number | MFCD18818592 |
| Molecular Formula | C3H2BrNO2 |
| Molecular Weight | 163.9575 |
| SMILES | OC1C(Br)=CON=1 |
| Synonyms | 4-bromo-1,2-oxazol-3-ol,
31561-94-1,
ZINC39113180,
AKOS026728695,
NE54843,
F8889-5596,
3-Isoxazolol, 4-bromo- (8CI),
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.958g/mol |
| Monoisotopic Mass | 162.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number