| CAS Number | 1715031-89-2 |
| Catalog Number | AG019ET8(AGN-PC-0WG45B) |
| Chemical Name | tert-Butyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate |
| IUPAC Name | tert-butyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate |
| InChI | InChI=1S/C15H15BrFN3O2/c1-15(2,3)22-14(21)9-5-4-8(6-10(9)17)12-13(18)19-7-11(16)20-12/h4-7H,1-3H3,(H2,18,19) |
| InChI Key | HAQYGXWGJSMDRH-UHFFFAOYSA-N |
| MDL Number | MFCD28991984 |
| Molecular Formula | C15H15BrFN3O2 |
| Molecular Weight | 368.2009 |
| SMILES | Brc1cnc(c(n1)c1ccc(c(c1)F)C(=O)OC(C)(C)C)N |
| Synonyms | tert-Butyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate,
1715031-89-2,
SCHEMBL16679329,
HAQYGXWGJSMDRH-UHFFFAOYSA-N,
ZINC261507274,
CS-0037103,
A1-09059,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.03317g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.2g/mol |
| Monoisotopic Mass | 367.03317g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number