| CAS Number | 676494-55-6 |
| Catalog Number | AG005R0P(AGN-PC-09T184) |
| Chemical Name | 3-Fluoro-4-(4-formylphenoxy)benzonitrile |
| IUPAC Name | 3-fluoro-4-(4-formylphenoxy)benzonitrile |
| InChI | InChI=1S/C14H8FNO2/c15-13-7-11(8-16)3-6-14(13)18-12-4-1-10(9-17)2-5-12/h1-7,9H |
| InChI Key | ARHWMHDEBZNNKQ-UHFFFAOYSA-N |
| MDL Number | MFCD11111105 |
| Molecular Formula | C14H8FNO2 |
| Molecular Weight | 241.2172 |
| SMILES | Fc1cc(ccc1Oc1ccc(C=O)cc1)C#N |
| Synonyms | 3-FLUORO-4-(4-FORMYLPHENOXY)BENZONITRILE,
676494-55-6,
Benzonitrile,3-fluoro-4-(4-formylphenoxy)-,
SCHEMBL2675456,
CTK5C6480,
DTXSID60698947,
ARHWMHDEBZNNKQ-UHFFFAOYSA-N,
MFCD11111105,
ZINC71621099,
AKOS030525313,
3-Fluoro-4-(4-formyl-phenoxy)-benzonitrile,
FT-0698805,
A835841,
3-fluoranyl-4-(4-methanoylphenoxy)benzenecarbonitrile,
3-fluoro-4- benzonitrile,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.221g/mol |
| Monoisotopic Mass | 241.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^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
Lot Number