| CAS Number | 1241953-58-1 |
| Catalog Number | AG01BU0F |
| Chemical Name | 3-Bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile |
| IUPAC Name | 3-bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile |
| InChI | InChI=1S/C4H3BrN2O/c5-4-1-3(2-6)8-7-4/h3H,1H2 |
| InChI Key | OGAVYSBGTQNEPW-UHFFFAOYSA-N |
| MDL Number | MFCD26403775 |
| Molecular Formula | C4H3BrN2O |
| Molecular Weight | 174.9834 |
| SMILES | BrC1CC(C#N)ON=1 |
| Synonyms | 1241953-58-1,
3-bromo-4,5-dihydroisoxazole-5-carbonitrile,
3-bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile,
SCHEMBL1237865,
OGAVYSBGTQNEPW-UHFFFAOYSA-N,
DA-13783,
FT-0723968,
5-Isoxazolecarbonitrile,3-bromo-4,5-dihydro-,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.985g/mol |
| Monoisotopic Mass | 173.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number