| CAS Number | 919522-25-1 |
| Catalog Number | AG006IGJ(AGN-PC-05G26A) |
| Chemical Name | 6-chloro-N-[(2-fluorophenyl)methyl]pyridazin-3-amine |
| IUPAC Name | 6-chloro-N-[(2-fluorophenyl)methyl]pyridazin-3-amine |
| InChI | InChI=1S/C11H9ClFN3/c12-10-5-6-11(16-15-10)14-7-8-3-1-2-4-9(8)13/h1-6H,7H2,(H,14,16) |
| InChI Key | URUSMXUULRIJHH-UHFFFAOYSA-N |
| MDL Number | MFCD11117690 |
| Molecular Formula | C11H9ClFN3 |
| Molecular Weight | 237.6607 |
| SMILES | FC1=C(CNC2=NN=C(Cl)C=C2)C=CC=C1 |
| Synonyms | 6-chloro-N-[(2-fluorophenyl)methyl]pyridazin-3-amine,
919522-25-1,
6-chloro-N-(2-fluorobenzyl)pyridazin-3-amine,
3-Pyridazinamine, 6-chloro-N-[(2-fluorophenyl)methyl]-,
CTK3H3271,
DTXSID30651903,
ZINC20548654,
AKOS009038032,
MCULE-6656834712,
NE29052,
EN300-91794,
F1967-4404,
Z108583050,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.662g/mol |
| Monoisotopic Mass | 237.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number