| CAS Number | 1955473-97-8 |
| Catalog Number | AG01B5PR |
| Chemical Name | (1S)-1-(3-Bromo-1,2-oxazol-5-yl)ethan-1-amine |
| IUPAC Name | 1-(3-bromo-1,2-oxazol-5-yl)ethanamine |
| InChI | InChI=1S/C5H7BrN2O/c1-3(7)4-2-5(6)8-9-4/h2-3H,7H2,1H3 |
| InChI Key | HZKRLMLVJBZKET-UHFFFAOYSA-N |
| MDL Number | MFCD30181190 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | C[C@@H](C1ON=C(Br)C=1)N |
| Synonyms | 1-(3-bromo-1,2-oxazol-5-yl)ethan-1-amine,
1187930-15-9,
1955473-97-8,
1955475-00-9,
(1S)-1-(3-bromo-1,2-oxazol-5-yl)ethan-1-amine,
1-(3-BROMO-ISOXAZOL-5-YL)-ETHYLAMINE,
(1R)-1-(3-bromo-1,2-oxazol-5-yl)ethan-1-amine,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.028g/mol |
| Monoisotopic Mass | 189.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number