| CAS Number | 1401425-30-6 |
| Catalog Number | AG01FOHU(AGN-PC-0WC94D) |
| Chemical Name | Pyridine, 2-(1,1-difluoroethyl)-4-methyl- |
| IUPAC Name | 2-(1,1-difluoroethyl)-4-methylpyridine |
| InChI | InChI=1S/C8H9F2N/c1-6-3-4-11-7(5-6)8(2,9)10/h3-5H,1-2H3 |
| InChI Key | HWLQXIHEWAKVBC-UHFFFAOYSA-N |
| MDL Number | MFCD22421955 |
| Molecular Formula | C8H9F2N |
| Molecular Weight | 157.1606 |
| SMILES | Cc1ccnc(c1)C(F)(F)C |
| Synonyms | 2-(1,1-Difluoroethyl)-4-methyl-pyridine,
2-(1,1-difluoroethyl)-4-methylpyridine,
1401425-30-6,
SCHEMBL14297355,
HWLQXIHEWAKVBC-UHFFFAOYSA-N,
BBL101994,
STL555791,
ZINC95704692,
AKOS016016005,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.164g/mol |
| Monoisotopic Mass | 157.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number