| CAS Number | 1823921-17-0 |
| Catalog Number | AG0023S0(AGN-PC-0WP23D) |
| Chemical Name | 2-Pyrazinecarboxylic acid, 5-amino-6-bromo-3-methyl-, methyl ester |
| IUPAC Name | methyl 5-amino-6-bromo-3-methylpyrazine-2-carboxylate |
| InChI | InChI=1S/C7H8BrN3O2/c1-3-4(7(12)13-2)11-5(8)6(9)10-3/h1-2H3,(H2,9,10) |
| InChI Key | VFSGCXINBAMREZ-UHFFFAOYSA-N |
| MDL Number | MFCD26521008 |
| Molecular Formula | C7H8BrN3O2 |
| Molecular Weight | 246.0613 |
| SMILES | NC=1N=C(C(=NC1Br)C(=O)OC)C |
| Synonyms | 1823921-17-0,
2-Pyrazinecarboxylic acid, 5-amino-6-bromo-3-methyl-, methyl ester,
METHYL 5-AMINO-6-BROMO-3-METHYLPYRAZINE-2-CARBOXYLATE,
KS-000001UD,
ZINC228941387,
AS-72011,
SC-34886,
METHYL 2-AMINO-3-BROMOPYRAZINE-5-CARBOXYLIC ACID,M,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.97999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.97999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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