| CAS Number | 1153105-84-0 |
| Catalog Number | AG00HCZ1(AGN-PC-0WP1PB) |
| Chemical Name | 3-Fluoro-4-(2-methoxyphenoxy)benzonitrile |
| IUPAC Name | 3-fluoro-4-(2-methoxyphenoxy)benzonitrile |
| InChI | InChI=1S/C14H10FNO2/c1-17-13-4-2-3-5-14(13)18-12-7-6-10(9-16)8-11(12)15/h2-8H,1H3 |
| InChI Key | NZFRIAJXZSXISB-UHFFFAOYSA-N |
| MDL Number | MFCD12110262 |
| Molecular Formula | C14H10FNO2 |
| Molecular Weight | 243.2331 |
| SMILES | COc1ccccc1Oc1ccc(cc1F)C#N |
| Synonyms | 3-fluoro-4-(2-methoxyphenoxy)benzonitrile,
1153105-84-0,
ZINC36886859,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.237g/mol |
| Monoisotopic Mass | 243.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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