| CAS Number | 1094351-79-7 |
| Catalog Number | AG00HBHG(AGN-PC-0WR9ZK) |
| Chemical Name | [3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine |
| IUPAC Name | [3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine |
| InChI | InChI=1S/C10H10BrN3O/c11-8-3-1-7(2-4-8)5-9-13-10(6-12)15-14-9/h1-4H,5-6,12H2 |
| InChI Key | YKGGVKFIYPVICX-UHFFFAOYSA-N |
| MDL Number | MFCD11205871 |
| Molecular Formula | C10H10BrN3O |
| Molecular Weight | 268.1099 |
| SMILES | NCc1onc(n1)Cc1ccc(cc1)Br |
| Synonyms | [3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine,
1094351-79-7,
ZINC36925366,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.114g/mol |
| Monoisotopic Mass | 267.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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