| CAS Number | 1211581-23-5 |
| Catalog Number | AG009F8D(AGN-PC-0WNNSL) |
| Chemical Name | 1-(3-AMINO-6-CHLOROPYRAZIN-2-YL)ETHANONE |
| IUPAC Name | 1-(3-amino-6-chloropyrazin-2-yl)ethanone |
| InChI | InChI=1S/C6H6ClN3O/c1-3(11)5-6(8)9-2-4(7)10-5/h2H,1H3,(H2,8,9) |
| InChI Key | REZWIVLHVIFWPP-UHFFFAOYSA-N |
| MDL Number | MFCD18250198 |
| Molecular Formula | C6H6ClN3O |
| Molecular Weight | 171.5843 |
| SMILES | Clc1cnc(c(n1)C(=O)C)N |
| Synonyms | 1-(3-AMINO-6-CHLOROPYRAZIN-2-YL)ETHANONE,
1211581-23-5,
MFCD18250198,
ZINC95762195,
AKOS027347073,
AB72517,
C-0545,
1-(3-amino-6-chloropyrazin-2-yl)ethanone, 95% - 1G 1g,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.584g/mol |
| Monoisotopic Mass | 171.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number