| CAS Number | 1268247-73-9 |
| Catalog Number | AG01AG7G |
| Chemical Name | 3-Bromo-4-isothiazolecarbonitrile |
| IUPAC Name | 3-bromo-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C4HBrN2S/c5-4-3(1-6)2-8-7-4/h2H |
| InChI Key | FMZAFRSEAKSCQY-UHFFFAOYSA-N |
| MDL Number | MFCD31629529 |
| Molecular Formula | C4HBrN2S |
| Molecular Weight | 189.0331 |
| SMILES | C(#N)c1c(Br)nsc1 |
| Synonyms | 3-bromoisothiazole-4-carbonitrile,
3-bromo-1,2-thiazole-4-carbonitrile,
3-Bromoisothiazole-4-carbonitrile,
1268247-73-9,
EH00840,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.90438g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.04g/mol |
| Monoisotopic Mass | 187.90438g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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