| CAS Number | 1335052-66-8 |
| Catalog Number | AG00A03B(AGN-PC-0WNR0K) |
| Chemical Name | 3-Bromo-5-chloropyridine-4-carbonitrile |
| IUPAC Name | 3-bromo-5-chloropyridine-4-carbonitrile |
| InChI | InChI=1S/C6H2BrClN2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H |
| InChI Key | BHCKYDNBZYMFEL-UHFFFAOYSA-N |
| MDL Number | MFCD22380416 |
| Molecular Formula | C6H2BrClN2 |
| Molecular Weight | 217.4505 |
| SMILES | BrC1=C(C#N)C(=CN=C1)Cl |
| Synonyms | 1335052-66-8,
3-broMo-5-chloropyridine-4-carbonitrile,
3-Bromo-5-chloroisonicotinonitrile,
3-Bromo-5-chloro-isonicotinonitrile,
MFCD22380416,
ZINC95628624,
AS-40963,
3-bromo-5-chloropyridine-4-carbonitrile, 95% - 1G 1g,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.45g/mol |
| Monoisotopic Mass | 215.909g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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