| CAS Number | 944907-38-4 |
| Catalog Number | AG01C3ME(AGN-PC-0WOKV0) |
| Chemical Name | 5-Bromobenzo[d]oxazole-2-carbaldehyde |
| IUPAC Name | 5-bromo-1,3-benzoxazole-2-carbaldehyde |
| InChI | InChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)10-8(4-11)12-7/h1-4H |
| InChI Key | DLZGRSOMDWLGFW-UHFFFAOYSA-N |
| MDL Number | MFCD09027520 |
| Molecular Formula | C8H4BrNO2 |
| Molecular Weight | 226.0269 |
| SMILES | BrC1=CC2=C(OC(=N2)C=O)C=C1 |
| Synonyms | 944907-38-4,
5-BROMO-BENZOOXAZOLE-2-CARBALDEHYDE,
5-BROMOBENZO[D]OXAZOLE-2-CARBALDEHYDE,
5-BROMO-1,3-BENZOXAZOLE-2-CARBALDEHYDE,
DTXSID40696188,
3155AJ,
ZINC82360217,
AB49173,
AJ-125208,
DB-079944,
FT-0731753,
Z-6654,
C8H4BrNO2,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.029g/mol |
| Monoisotopic Mass | 224.943g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number