| CAS Number | 1805019-61-7 |
| Catalog Number | AG00221J(AGN-PC-0WAMJZ) |
| Chemical Name | Pyridine, 2-bromo-5-(difluoromethyl)-4-methyl- |
| IUPAC Name | 2-bromo-5-(difluoromethyl)-4-methylpyridine |
| InChI | InChI=1S/C7H6BrF2N/c1-4-2-6(8)11-3-5(4)7(9)10/h2-3,7H,1H3 |
| InChI Key | HIRUAJRWGFRMFJ-UHFFFAOYSA-N |
| MDL Number | MFCD25477783 |
| Molecular Formula | C7H6BrF2N |
| Molecular Weight | 222.0300 |
| SMILES | CC1=CC(Br)=NC=C1C(F)F |
| Synonyms | 2-Bromo-5-(difluoromethyl)-4-methylpyridine,
1805019-61-7,
SCHEMBL20488037,
KS-00000LNL,
MFCD25477783,
AKOS027372744,
ZINC238475364,
AK378575,
DS-12805,
Pyridine, 2-bromo-5-(difluoromethyl)-4-methyl-,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.033g/mol |
| Monoisotopic Mass | 220.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number