| CAS Number | 1092841-52-5 |
| Catalog Number | AG01ABP3 |
| Chemical Name | 4-(3,4-Difluorophenoxy)benzonitrile
|
| IUPAC Name | 4-(3,4-difluorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H7F2NO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H |
| InChI Key | FSYIQHZYGWWBDU-UHFFFAOYSA-N |
| MDL Number | MFCD12075535 |
| Molecular Formula | C13H7F2NO |
| Molecular Weight | 231.1976 |
| SMILES | O(c1cc(F)c(F)cc1)c1ccc(C#N)cc1 |
| Synonyms | 4-(3,4-difluorophenoxy)benzonitrile,
1092841-52-5,
ZINC35238079,
AKOS009295335,
MCULE-8482096124,
NE28660,
Z373011030,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.202g/mol |
| Monoisotopic Mass | 231.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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