| CAS Number | 1342462-39-8 |
| Catalog Number | AG01B1QM |
| Chemical Name | 2,2-Difluoro-2-(pyrazin-2-yl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-pyrazin-2-ylacetic acid |
| InChI | InChI=1S/C6H4F2N2O2/c7-6(8,5(11)12)4-3-9-1-2-10-4/h1-3H,(H,11,12) |
| InChI Key | PEJPRYTWSMMHOQ-UHFFFAOYSA-N |
| MDL Number | MFCD19622588 |
| Molecular Formula | C6H4F2N2O2 |
| Molecular Weight | 174.105 |
| SMILES | OC(C(C1=NC=CN=C1)(F)F)=O |
| Synonyms | 2,2-difluoro-2-(pyrazin-2-yl)acetic acid,
1342462-39-8,
ZINC69048930,
AKOS013284643,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.107g/mol |
| Monoisotopic Mass | 174.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number