| CAS Number | 2126176-84-7 |
| Catalog Number | AG01E7BH |
| Chemical Name | 2-(4-bromophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one |
| IUPAC Name | 2-(4-bromophenyl)-4H-1,3,4-oxadiazin-5-one |
| InChI | InChI=1S/C9H7BrN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(13)5-14-9/h1-4H,5H2,(H,11,13) |
| InChI Key | MWVSLQNUWMNTDX-UHFFFAOYSA-N |
| MDL Number | MFCD31381376 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | BrC1=CC=C(C2OCC(=O)NN=2)C=C1 |
| Synonyms | MFCD31381376,
2-(4-Bromophenyl)-4H-1,3,4-oxadiazin-5(6H)-one,
F2163-0211,
2-(4-bromophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one,
2126176-84-7,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number