| CAS Number | 1373232-92-8 |
| Catalog Number | AG00135N(AGN-PC-0WA60S) |
| Chemical Name | 2-Amino-3-{2-[(2-Amino-5-chloropyridin-3-yl)oxy]ethoxy}-5-chloropyridine |
| IUPAC Name | 3-[2-(2-amino-5-chloropyridin-3-yl)oxyethoxy]-5-chloropyridin-2-amine |
| InChI | InChI=1S/C12H12Cl2N4O2/c13-7-3-9(11(15)17-5-7)19-1-2-20-10-4-8(14)6-18-12(10)16/h3-6H,1-2H2,(H2,15,17)(H2,16,18) |
| InChI Key | AUQPTPGXSMQJCY-UHFFFAOYSA-N |
| MDL Number | MFCD22192543 |
| Molecular Formula | C12H12Cl2N4O2 |
| Molecular Weight | 315.1553 |
| SMILES | Nc1ncc(cc1OCCOc1cc(Cl)cnc1N)Cl |
| Synonyms | 1373232-92-8,
2-Amino-3-{2-[(2-Amino-5-chloropyridin-3-yl)oxy]ethoxy}-5-chloropyridine,
2-AMINO-3-(2-[(2-AMINO-5-CHLOROPYRIDIN-3-YL)OXY]ETHOXY)-5-CHLOROPYRIDINE,
ACMC-209cbv,
CTK8B0617,
DTXSID00742953,
ANW-20249,
MFCD22192543,
ZINC85477167,
TC-108994,
V2703,
K-4416,
3,3'-[Ethane-1,2-diylbis(oxy)]bis(5-chloropyridin-2-amine),
2-Pyridinamine, 3,3'-[(1,2-ethanediyl)bis(oxy)]bis[5-chloro-,
C12H12Cl2N4O2,
AUQPTPGXSMQJCY-UHFFFAOYSA-N,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.154g/mol |
| Monoisotopic Mass | 314.034g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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