| CAS Number | 261945-24-8 |
| Catalog Number | AG01C9B3 |
| Chemical Name | 2,5-Difluoro-4-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2,5-difluoro-4-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H2F5N/c9-6-2-5(8(11,12)13)7(10)1-4(6)3-14/h1-2H |
| InChI Key | UIUJARXSZPKAQW-UHFFFAOYSA-N |
| MDL Number | MFCD01631622 |
| Molecular Formula | C8H2F5N |
| Molecular Weight | 207.1002 |
| SMILES | N#Cc1cc(F)c(cc1F)C(F)(F)F |
| Synonyms | 2,5-Difluoro-4-(trifluoromethyl)benzonitrile,
261945-24-8,
ZINC2382337,
MFCD01631622,
AS-43947,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.103g/mol |
| Monoisotopic Mass | 207.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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