| CAS Number | 1276056-86-0 |
| Catalog Number | AG009DDA(AGN-PC-0WA7MJ) |
| Chemical Name | 3-N-Boc-amino-6-chloropyradazine |
| IUPAC Name | tert-butyl N-(6-chloropyridazin-3-yl)carbamate |
| InChI | InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)11-7-5-4-6(10)12-13-7/h4-5H,1-3H3,(H,11,13,14) |
| InChI Key | FTDBVEUCBIBDHS-UHFFFAOYSA-N |
| MDL Number | MFCD18070957 |
| Molecular Formula | C9H12ClN3O2 |
| Molecular Weight | 229.6635 |
| SMILES | ClC1=CC=C(N=N1)NC(OC(C)(C)C)=O |
| Synonyms | 1276056-86-0,
tert-Butyl (6-chloropyridazin-3-yl)carbamate,
tert-butyl 6-chloropyridazin-3-ylcarbamate,
tert-butyl N-(6-chloropyridazin-3-yl)carbamate,
3-(N-BOC-AMINO)-6-CHLOROPYRIDAZINE,
SCHEMBL15202941,
DTXSID30725496,
MFCD18070957,
ZINC66322803,
AKOS024258750,
3-N-BOC-AMINO-6-CHLOROPYRADAZINE,
AJ-115883,
C-2565,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.664g/mol |
| Monoisotopic Mass | 229.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number