| CAS Number | 76661-24-0 |
| Catalog Number | AG00G3MC(AGN-PC-0WQUZG) |
| Chemical Name | 2,5-Dichloro-4-(3-nitrophenoxy)pyrimidine |
| IUPAC Name | 2,5-dichloro-4-(3-nitrophenoxy)pyrimidine |
| InChI | InChI=1S/C10H5Cl2N3O3/c11-8-5-13-10(12)14-9(8)18-7-3-1-2-6(4-7)15(16)17/h1-5H |
| InChI Key | SEGZIOXGXFJLHD-UHFFFAOYSA-N |
| MDL Number | MFCD22124565 |
| Molecular Formula | C10H5Cl2N3O3 |
| Molecular Weight | 286.0710 |
| SMILES | O=[N+](C1=CC(OC2=NC(Cl)=NC=C2Cl)=CC=C1)[O-] |
| Synonyms | 2,5-dichloro-4-(3-nitrophenoxy)pyrimidine,
76661-24-0,
SCHEMBL1706682,
SEGZIOXGXFJLHD-UHFFFAOYSA-N,
CS-M1159,
MFCD22124565,
ZINC93799486,
AKOS018189401,
AM81021,
CS-13812,
FT-0713981,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.068g/mol |
| Monoisotopic Mass | 284.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number