| CAS Number | 55809-52-4 |
| Catalog Number | AG00DKV2(AGN-PC-00PA6W) |
| Chemical Name | 4-Bromo-5-(tert-butyl)isoxazol-3-amine |
| IUPAC Name | 4-bromo-5-tert-butyl-1,2-oxazol-3-amine |
| InChI | InChI=1S/C7H11BrN2O/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3,(H2,9,10) |
| InChI Key | YFIGFPCNOOJBBC-UHFFFAOYSA-N |
| MDL Number | MFCD18761958 |
| Molecular Formula | C7H11BrN2O |
| Molecular Weight | 219.0790 |
| SMILES | BrC=1C(=NOC1C(C)(C)C)N |
| Synonyms | 55809-52-4,
4-Bromo-5-(tert-butyl)isoxazol-3-amine,
4-bromo-5-tert-butylisoxazol-3-amine,
4-bromo-5-tert-butyl-1,2-oxazol-3-amine,
SCHEMBL7230958,
YFIGFPCNOOJBBC-UHFFFAOYSA-N,
MFCD18761958,
ZINC34559175,
AKOS017549570,
3-Amino-4-bromo-5-tert-butylisoxazole,
4-bromo-5-tert-butyl-isoxazol-3-amine,
CS-0060871,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.082g/mol |
| Monoisotopic Mass | 218.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number