| CAS Number | 944391-84-8 |
| Catalog Number | AG00II61(AGN-PC-0WNLYV) |
| Chemical Name | 2-(3-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(3-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H6BrClN2O/c10-7-3-1-2-6(4-7)9-13-12-8(5-11)14-9/h1-4H,5H2 |
| InChI Key | XKGWFTUQBXSVSK-UHFFFAOYSA-N |
| MDL Number | MFCD09935794 |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.5137 |
| SMILES | ClCC1OC(C2=CC(Br)=CC=C2)=NN=1 |
| Synonyms | 2-(3-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole,
944391-84-8,
AC1Q3U5L,
CTK6H7048,
3929AF,
MFCD09935794,
ZINC19471593,
AKOS000177637,
AB55237,
AS-9396,
NE30263,
EN300-59417,
2-(3-Bromo-phenyl)-5-chloromethyl-[1,3,4]oxadiazole,
C9H6BrClN2O,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.514g/mol |
| Monoisotopic Mass | 271.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number