| CAS Number | 915921-41-4 |
| Catalog Number | AG006GL2(AGN-PC-0WB3F0) |
| Chemical Name | 2-Benzyl-5-bromobenzo[d]oxazole |
| IUPAC Name | 2-benzyl-5-bromo-1,3-benzoxazole |
| InChI | InChI=1S/C14H10BrNO/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChI Key | GIXLJAZFGSWIOI-UHFFFAOYSA-N |
| MDL Number | MFCD08691467 |
| Molecular Formula | C14H10BrNO |
| Molecular Weight | 288.1393 |
| SMILES | N1C2C=C(Br)C=CC=2OC=1CC1=CC=CC=C1 |
| Synonyms | 2-BENZYL-5-BROMO-1,3-BENZOXAZOLE,
915921-41-4,
2-Benzyl-5-bromobenzoxazole,
SCHEMBL5077598,
CTK5G9974,
2-Benzyl-5-bromobenzo[d]oxazole,
DTXSID70650834,
ZX-CM003380,
MFCD08691467,
ZINC19089068,
AKOS022185006,
AJ-71110,
2-Benzyl-5-bromo-1,3-benzoxazole, AldrichCPR,
Y-4159,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.144g/mol |
| Monoisotopic Mass | 286.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number