| CAS Number | 169335-35-7 |
| Catalog Number | AG00ALG4(AGN-PC-0JRJS1) |
| Chemical Name | Pyrazinecarboxylic acid, 5-fluoro-, methyl ester (9CI) |
| IUPAC Name | methyl 5-fluoropyrazine-2-carboxylate |
| InChI | InChI=1S/C6H5FN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3 |
| InChI Key | OJSIPUSAMRJSND-UHFFFAOYSA-N |
| MDL Number | MFCD13174992 |
| Molecular Formula | C6H5FN2O2 |
| Molecular Weight | 156.1145 |
| SMILES | FC=1N=CC(=NC1)C(=O)OC |
| Synonyms | Methyl 5-fluoropyrazine-2-carboxylate,
169335-35-7,
PYRAZINECARBOXYLIC ACID, 5-FLUORO-, METHYL ESTER (9CI),
AC1LAB0A,
5-FLUORO-PYRAZINECARBOXYLIC ACID METHYL ESTER,
CHEMBL117948,
SCHEMBL2645923,
DTXSID30332765,
OJSIPUSAMRJSND-UHFFFAOYSA-N,
ZINC6482748,
Methyl 5-fluoro-2-pyrazinecarboxylate,
AKOS027400015,
5-Fluoro-pyrazine-2-carboxylic acid methyl ester,
2-Pyrazinecarboxylic acid, 5-fluoro-, methyl ester,
Pyrazinoic acid ester deriv.,
AIDS043754,
CID465060,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.116g/mol |
| Monoisotopic Mass | 156.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number