| CAS Number | 176787-96-5 |
| Catalog Number | AG00ASVG(AGN-PC-0O5085) |
| Chemical Name | 5'-bromo-[2,2'-bithiophene]-5-carbonitrile |
| IUPAC Name | 5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile |
| InChI | InChI=1S/C9H4BrNS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4H |
| InChI Key | OHVCHDZJRUEOKH-UHFFFAOYSA-N |
| MDL Number | MFCD16339405 |
| Molecular Formula | C9H4BrNS2 |
| Molecular Weight | 270.1688 |
| SMILES | BrC1=CC=C(S1)C2=CC=C(C#N)S2 |
| Synonyms | 5'-bromo-[2,2'-bithiophene]-5-carbonitrile,
176787-96-5,
5'-bromo-2,2'-bithiophene-5-carbonitrile,
AKOS022322172,
B5457,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.162g/mol |
| Monoisotopic Mass | 268.897g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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