| CAS Number | 1187385-57-4 |
| Catalog Number | AG003I23(AGN-PC-07XU9J) |
| Chemical Name | 3-(3-Bromophenyl)-5-Propyl-1,2,4-Oxadiazole |
| IUPAC Name | 3-(3-bromophenyl)-5-propyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H11BrN2O/c1-2-4-10-13-11(14-15-10)8-5-3-6-9(12)7-8/h3,5-7H,2,4H2,1H3 |
| InChI Key | FAGBPEJHNSCHSJ-UHFFFAOYSA-N |
| MDL Number | MFCD12913950 |
| Molecular Formula | C11H11BrN2O |
| Molecular Weight | 267.1218 |
| SMILES | CCCc1onc(n1)c1cccc(c1)Br |
| Synonyms | 3-(3-BROMOPHENYL)-5-PROPYL-1,2,4-OXADIAZOLE,
1187385-57-4,
ACMC-2099y5,
CTK4B0813,
DTXSID40674941,
ANW-17163,
MFCD12913950,
ZINC38537372,
AKOS015834639,
AJ-96096,
CJ-19447,
AX8231091,
TR-034227,
ST24022542,
Z7942,
A-5251,
I14-24921,
C11H11BrN2O,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.126g/mol |
| Monoisotopic Mass | 266.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number