| CAS Number | 1335057-78-7 |
| Catalog Number | AG00A1IG(AGN-PC-0WR3UL) |
| Chemical Name | 5-Bromo-3-chloro-2-(2H-1,2,3-triazol-2-yl)pyridine |
| IUPAC Name | 5-bromo-3-chloro-2-(triazol-2-yl)pyridine |
| InChI | InChI=1S/C7H4BrClN4/c8-5-3-6(9)7(10-4-5)13-11-1-2-12-13/h1-4H |
| InChI Key | RWUZBQLYYCYFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD30530552 |
| Molecular Formula | C7H4BrClN4 |
| Molecular Weight | 259.4905 |
| SMILES | BrC=1C=C(C(=NC1)N1N=CC=N1)Cl |
| Synonyms | 5-bromo-3-chloro-2-(2H-1,2,3-triazol-2-yl)pyridine,
1335057-78-7,
MFCD30530552,
AKOS030629899,
ZINC584907026,
CS-W000743,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.491g/mol |
| Monoisotopic Mass | 257.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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