| CAS Number | 1427399-19-6 |
| Catalog Number | AG01FL7E(AGN-PC-3H4B2E) |
| Chemical Name | 2-Bromo-4-fluorobenzo[d]thiazole-6-carbonitrile |
| IUPAC Name | 2-bromo-4-fluoro-1,3-benzothiazole-6-carbonitrile |
| InChI | InChI=1S/C8H2BrFN2S/c9-8-12-7-5(10)1-4(3-11)2-6(7)13-8/h1-2H |
| InChI Key | YNEOGAKFTQOFJZ-UHFFFAOYSA-N |
| MDL Number | MFCD23705953 |
| Molecular Formula | C8H2BrFN2S |
| Molecular Weight | 257.0823 |
| SMILES | Fc1cc(cc2c1nc(s2)Br)C#N |
| Synonyms | 2-bromo-4-fluorobenzo[d]thiazole-6-carbonitrile,
SCHEMBL17839867,
YNEOGAKFTQOFJZ-UHFFFAOYSA-N,
2-Bromo-4-fluoro-1,3-benzothiazole-6-carbonitrile,
1427399-19-6,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.08g/mol |
| Monoisotopic Mass | 255.911g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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