| CAS Number | 862821-18-9 |
| Catalog Number | AG00IDZW(AGN-PC-09RO5D) |
| Chemical Name | Ethyl 3-(6-chloropyridazin-3-yloxy)benzoate |
| IUPAC Name | ethyl 3-(6-chloropyridazin-3-yl)oxybenzoate |
| InChI | InChI=1S/C13H11ClN2O3/c1-2-18-13(17)9-4-3-5-10(8-9)19-12-7-6-11(14)15-16-12/h3-8H,2H2,1H3 |
| InChI Key | PRASYCSNCUTXRV-UHFFFAOYSA-N |
| MDL Number | MFCD11501088 |
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.6910 |
| SMILES | CCOC(=O)C1=CC=CC(OC2=NN=C(Cl)C=C2)=C1 |
| Synonyms | 862821-18-9,
ETHYL 3-(6-CHLOROPYRIDAZIN-3-YLOXY)BENZOATE,
Ethyl 3-((6-chloropyridazin-3-yl)oxy)benzoate,
Ethyl 3-[(6-chloropyridazin-3-yl)oxy]benzoate,
3-(6-Chloro-pyridazin-3-yloxy)-benzoic acid ethyl ester,
DTXSID80695135,
MFCD11501088,
ZINC44137191,
AKOS025402454,
AC-9283,
AN-7158,
AS-31379,
ethyl 3-(6-chloropyridazin-3-yl)oxybenzoate,
A-1989,
3-(6-chloropyridazin-3-yloxy)benzoic acid ethyl ester,
3- -BENZOICACIDETHYLESTER,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.692g/mol |
| Monoisotopic Mass | 278.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number