| CAS Number | 866327-72-2 |
| Catalog Number | AG01AF6T(AGN-PC-0HAA1W) |
| Chemical Name | Methyl 5-(dibromomethyl)pyrazine-2-carboxylate |
| IUPAC Name | methyl 5-(dibromomethyl)pyrazine-2-carboxylate |
| InChI | InChI=1S/C7H6Br2N2O2/c1-13-7(12)5-3-10-4(2-11-5)6(8)9/h2-3,6H,1H3 |
| InChI Key | VLUNGFXWFUJWMG-UHFFFAOYSA-N |
| MDL Number | MFCD25968076 |
| Molecular Formula | C7H6Br2N2O2 |
| Molecular Weight | 309.9427 |
| SMILES | COC(C1=NC=C(C(Br)Br)N=C1)=O |
| Synonyms | methyl 5-(dibromomethyl)pyrazine-2-carboxylate,
866327-72-2,
5-dibromomethyl-pyrazine-2-carboxylic acid methyl ester,
SCHEMBL1857256,
VLUNGFXWFUJWMG-UHFFFAOYSA-N,
MFCD25968076,
ZINC97972440,
NE43475,
AK689624,
DS-20254,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.945g/mol |
| Monoisotopic Mass | 307.88g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number