| CAS Number | 1381944-33-7 |
| Catalog Number | AG00185V(AGN-PC-0WA9UK) |
| Chemical Name | 4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile |
| IUPAC Name | 2-fluoro-4-(3-phenylmethoxyphenyl)benzonitrile |
| InChI | InChI=1S/C20H14FNO/c21-20-12-17(9-10-18(20)13-22)16-7-4-8-19(11-16)23-14-15-5-2-1-3-6-15/h1-12H,14H2 |
| InChI Key | FSJCJAYFXZOVGU-UHFFFAOYSA-N |
| MDL Number | MFCD22375061 |
| Molecular Formula | C20H14FNO |
| Molecular Weight | 303.3297 |
| SMILES | N#Cc1ccc(cc1F)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile,
1381944-33-7,
ACMC-209cfs,
C20H14FNO,
CTK8B0706,
DTXSID80743029,
ANW-20390,
MFCD22375061,
ZINC85477284,
TC-109135,
V2809,
3'-(Benzyloxy)-3-fluoro[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-(phenylmethoxy)-,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.336g/mol |
| Monoisotopic Mass | 303.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number