| CAS Number | 14022-96-9 |
| Catalog Number | AG01E956(AGN-PC-0WOUVL) |
| Chemical Name | 4-bromo-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 4-bromo-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C7H4BrNO2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10) |
| InChI Key | PGXJMHBTSZQHDD-UHFFFAOYSA-N |
| MDL Number | MFCD24572880 |
| Molecular Formula | C7H4BrNO2 |
| Molecular Weight | 214.0162 |
| SMILES | BrC1=CC=CC2=C1NC(O2)=O |
| Synonyms | 4-bromo-2,3-dihydro-1,3-benzoxazol-2-one,
14022-96-9,
2(3H)-Benzoxazolone, 4-bromo-,
SCHEMBL7503486,
4-bromobenzo[d]oxazol-2(3H)-one,
ZINC96034630,
AKOS023563948,
NE36814,
Z1945708876,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.018g/mol |
| Monoisotopic Mass | 212.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number