| CAS Number | 1824265-83-9 |
| Catalog Number | AG0023VI(AGN-PC-0WQUB7) |
| Chemical Name | Benzeneacetonitrile, 4-fluoro-2-(phenylmethoxy)- |
| IUPAC Name | 2-(4-fluoro-2-phenylmethoxyphenyl)acetonitrile |
| InChI | InChI=1S/C15H12FNO/c16-14-7-6-13(8-9-17)15(10-14)18-11-12-4-2-1-3-5-12/h1-7,10H,8,11H2 |
| InChI Key | MKEYIBZSBFCDFG-UHFFFAOYSA-N |
| MDL Number | MFCD18204938 |
| Molecular Formula | C15H12FNO |
| Molecular Weight | 241.2603 |
| SMILES | FC1=CC(=C(C=C1)CC#N)OCC1=CC=CC=C1 |
| Synonyms | 2-(2-(benzyloxy)-4-fluorophenyl)acetonitrile,
1824265-83-9,
CS-0022223,
Benzeneacetonitrile, 4-fluoro-2-(phenylmethoxy)-,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.265g/mol |
| Monoisotopic Mass | 241.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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