| CAS Number | 51337-32-7 |
| Catalog Number | AG01B915(AGN-PC-0069RY) |
| Chemical Name | 5-(Bromomethyl)-1,3-oxazolidin-2-one |
| IUPAC Name | 5-(bromomethyl)-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C4H6BrNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7) |
| InChI Key | INSHXEIAUKZTOC-UHFFFAOYSA-N |
| MDL Number | MFCD20622773 |
| Molecular Formula | C4H6BrNO2 |
| Molecular Weight | 179.9999 |
| SMILES | BrCC1CNC(O1)=O |
| Synonyms | 51337-32-7,
5-(bromomethyl)-1,3-oxazolidin-2-one,
5-(bromomethyl)oxazolidin-2-one,
5-bromomethyl-2-oxazolidinone,
SCHEMBL7793918,
INSHXEIAUKZTOC-UHFFFAOYSA-N,
2-Oxazolidinone,5-(bromomethyl)-,
2-Oxazolidinone, 5-(bromomethyl)-,
AKOS017529216,
DA-05323,
FT-0747111,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.001g/mol |
| Monoisotopic Mass | 178.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number