| CAS Number | 1956307-41-7 |
| Catalog Number | AG01EFNJ |
| Chemical Name | 5-(2-Chloropyrimidin-4-yl)-2,4-difluorobenzonitrile |
| IUPAC Name | 5-(2-chloropyrimidin-4-yl)-2,4-difluorobenzonitrile |
| InChI | InChI=1S/C11H4ClF2N3/c12-11-16-2-1-10(17-11)7-3-6(5-15)8(13)4-9(7)14/h1-4H |
| InChI Key | MCVOUZFEHVVQFC-UHFFFAOYSA-N |
| MDL Number | MFCD29059345 |
| Molecular Formula | C11H4ClF2N3 |
| Molecular Weight | 251.6194 |
| SMILES | Fc1cc(F)c(cc1C#N)-c1ccnc(Cl)n1 |
| Synonyms | 5-(2-Chloropyrimidin-4-yl)-2,4-difluorobenzonitrile,
1956307-41-7,
MFCD29059345,
ZINC261507769,
CS-0039815,
Benzonitrile, 5-(2-chloro-4-pyrimidinyl)-2,4-difluoro-,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.621g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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