| CAS Number | 1252046-16-4 |
| Catalog Number | AG000NCF(AGN-PC-0WC5JA) |
| Chemical Name | 2-Pyridinecarbonitrile, 6-bromo-3-chloro- |
| IUPAC Name | 6-bromo-3-chloropyridine-2-carbonitrile |
| InChI | InChI=1S/C6H2BrClN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H |
| InChI Key | RSZUOCXJOFDQCX-UHFFFAOYSA-N |
| MDL Number | MFCD17014673 |
| Molecular Formula | C6H2BrClN2 |
| Molecular Weight | 217.4505 |
| SMILES | N#CC1=NC(Br)=CC=C1Cl |
| Synonyms | 6-Bromo-3-chloropicolinonitrile,
1252046-16-4,
6-BROMO-3-CHLORO-2-CYANOPYRIDINE,
6-bromo-3-chloropyridine-2-carbonitrile,
SCHEMBL3719102,
CTK7C9166,
BBL102494,
MFCD17014673,
STL556297,
ZINC66323231,
AKOS015835406,
6-Bromo-3-chloro-pyridine-2-carbonitrile,
AS-43558,
TC-072391,
Y-9209,
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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 | 2.6 |
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Certificate of Analysis
Lot Number