| CAS Number | 945614-14-2 |
| Catalog Number | AG00IICA(AGN-PC-0WCM9P) |
| Chemical Name | 2-(Benzyloxy)-5-fluorobenzonitrile |
| IUPAC Name | 5-fluoro-2-phenylmethoxybenzonitrile |
| InChI | InChI=1S/C14H10FNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2 |
| InChI Key | URIQKEYISJKWRU-UHFFFAOYSA-N |
| MDL Number | MFCD18204992 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | N#Cc1cc(F)ccc1OCc1ccccc1 |
| Synonyms | 2-(benzyloxy)-5-fluorobenzonitrile,
945614-14-2,
2-Benzyloxy-5-fluoro-benzonitrile,
SCHEMBL379218,
URIQKEYISJKWRU-UHFFFAOYSA-N,
MFCD18204992,
AKOS012980020,
ZINC111036859,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.238g/mol |
| Monoisotopic Mass | 227.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^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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