| CAS Number | 88982-28-9 |
| Catalog Number | AG00IFJ1(AGN-PC-03EI3U) |
| Chemical Name | 3-Bromo-5-(bromomethyl)isoxazole |
| IUPAC Name | 3-bromo-5-(bromomethyl)-1,2-oxazole |
| InChI | InChI=1S/C4H3Br2NO/c5-2-3-1-4(6)7-8-3/h1H,2H2 |
| InChI Key | NFCHMZFEFOKVDT-UHFFFAOYSA-N |
| MDL Number | MFCD06795877 |
| Molecular Formula | C4H3Br2NO |
| Molecular Weight | 240.8807 |
| SMILES | BrC1=NOC(=C1)CBr |
| Synonyms | 3-Bromo-5-(bromomethyl)isoxazole,
88982-28-9,
3-Bromo-5-(bromomethyl)-1,2-oxazole,
3-BROMO-5-BROMOMETHYL-ISOXAZOLE,
C4H3Br2NO,
3-bromo-5-bromomethylisoxazole,
SCHEMBL2358603,
DTXSID70617068,
4667AC,
MFCD06795877,
ZINC91692585,
AKOS016000764,
AS-39033,
AJ-131911,
Z-5575,
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| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.856g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.882g/mol |
| Monoisotopic Mass | 238.858g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number