| CAS Number | 85288-37-5 |
| Catalog Number | AG00GA0V |
| Chemical Name | 4-(4-bromophenyl)-1,3-oxazolidin-2-one |
| IUPAC Name | 4-(4-bromophenyl)-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12) |
| InChI Key | ZMFGCUVSMQUNBH-UHFFFAOYSA-N |
| MDL Number | MFCD20132106 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | O=C1OCC(C2=CC=C(Br)C=C2)N1 |
| Synonyms | 4-(4-bromophenyl)-1,3-oxazolidin-2-one,
85288-37-5,
2-Oxazolidinone, 4-(4-bromophenyl)-,
MFCD20132106,
4-(4-Bromo-phenyl)oxazolidin-2-one,
AKOS014924344,
BS-12574,
Z2509351082,
4-(4-Bromo-phenyl)-oxazolidin-2-one,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number