| CAS Number | 537025-33-5 |
| Catalog Number | AG01DTNK(AGN-PC-03Y646) |
| Chemical Name | 6-bromo-2-phenyl-1,3-benzoxazole |
| IUPAC Name | 6-bromo-2-phenyl-1,3-benzoxazole |
| InChI | InChI=1S/C13H8BrNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H |
| InChI Key | YVZIBDQASKHGFK-UHFFFAOYSA-N |
| MDL Number | MFCD16468785 |
| Molecular Formula | C13H8BrNO |
| Molecular Weight | 274.1127 |
| SMILES | BrC1=CC2=C(N=C(O2)C2=CC=CC=C2)C=C1 |
| Synonyms | 537025-33-5,
6-Bromo-2-phenylbenzo[d]oxazole,
2-phenyl-6-bromobenzoxazole,
6-bromo-2-phenyl-benzoxazole,
SCHEMBL2139699,
Benzoxazole, 6-bromo-2-phenyl-,
YVZIBDQASKHGFK-UHFFFAOYSA-N,
AKOS022324829,
benzoxazole, 6-bromo-2-phenyl,
1,2-bis(4-(oxiran-2-ylmethoxy)phenyl)disulfane,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.117g/mol |
| Monoisotopic Mass | 272.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number