| CAS Number | 280582-13-0 |
| Catalog Number | AG01BIDI(AGN-PC-0O8JTT) |
| Chemical Name | 2,5-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine |
| IUPAC Name | 2,5-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine |
| InChI | InChI=1S/C10H6Cl2FN3/c11-8-5-14-10(12)16-9(8)15-7-3-1-6(13)2-4-7/h1-5H,(H,14,15,16) |
| InChI Key | XBRSOMKUVTXYSJ-UHFFFAOYSA-N |
| MDL Number | MFCD23737482 |
| Molecular Formula | C10H6Cl2FN3 |
| Molecular Weight | 258.0791 |
| SMILES | C1=CC(=CC=C1NC2=NC(=NC=C2Cl)Cl)F |
| Synonyms | 280582-13-0,
2,5-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine,
2,5-Dichloro-N-(4-fluorophenyl)-4-pyrimidinamine,
SCHEMBL6923416,
ZINC86621779,
AKOS018190054,
FT-0752759,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.077g/mol |
| Monoisotopic Mass | 256.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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