| CAS Number | 1442648-14-7 |
| Catalog Number | AG019F2R |
| Chemical Name | 8-Bromodibenzo[b,d]furan-2-carbonitrile |
| IUPAC Name | 8-bromodibenzofuran-2-carbonitrile |
| InChI | InChI=1S/C13H6BrNO/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h1-6H |
| InChI Key | HKOVCIDTVHIWOB-UHFFFAOYSA-N |
| MDL Number | MFCD31656876 |
| Molecular Formula | C13H6BrNO |
| Molecular Weight | 272.0968 |
| SMILES | N#Cc1ccc2c(c1)c1cc(Br)ccc1o2 |
| Synonyms | 8-bromodibenzo[b,d]furan-2-carbonitrile,
1442648-14-7,
SCHEMBL15240406,
HKOVCIDTVHIWOB-UHFFFAOYSA-N,
8-Bromodibenzofuran-2-carbonitrile,
CS-0062235,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.101g/mol |
| Monoisotopic Mass | 270.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number