| CAS Number | 1033201-86-3 |
| Catalog Number | AG003MF0(AGN-PC-0WD0O2) |
| Chemical Name | 5-Benzyl-3-(2-bromophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-benzyl-3-(2-bromophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C15H11BrN2O/c16-13-9-5-4-8-12(13)15-17-14(19-18-15)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChI Key | LPXBFTYWZLFFBZ-UHFFFAOYSA-N |
| MDL Number | MFCD10699653 |
| Molecular Formula | C15H11BrN2O |
| Molecular Weight | 315.1646 |
| SMILES | Brc1ccccc1c1noc(n1)Cc1ccccc1 |
| Synonyms | 5-Benzyl-3-(2-bromophenyl)-1,2,4-oxadiazole,
1033201-86-3,
ACMC-20985z,
CTK4A1958,
DTXSID70674499,
ANW-14853,
MFCD10699653,
ZINC38537046,
AKOS015839275,
RTR-000763,
AJ-95831,
CJ-19336,
AX8231060,
TR-000763,
ST24023839,
Z6619,
A-4249,
I14-25126,
C15H11BrN2O,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.17g/mol |
| Monoisotopic Mass | 314.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^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