| CAS Number | 78338-67-7 |
| Catalog Number | AG00ICXU(AGN-PC-0MY2GT) |
| Chemical Name | 4-(2-Methoxyphenoxy)benzonitrile
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| IUPAC Name | 4-(2-methoxyphenoxy)benzonitrile |
| InChI | InChI=1S/C14H11NO2/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-9H,1H3 |
| InChI Key | WCBJZVLPHCVODR-UHFFFAOYSA-N |
| MDL Number | MFCD09705472 |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.2426 |
| SMILES | O(c1c(OC)cccc1)c1ccc(C#N)cc1 |
| Synonyms | 4-(2-methoxyphenoxy)benzonitrile,
78338-67-7,
SCHEMBL920146,
WCBJZVLPHCVODR-UHFFFAOYSA-N,
STL450166,
ZINC11959900,
Benzonitrile, 4-(2-methoxyphenoxy)-,
AKOS000222277,
FT-0750104,
CID10059541,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.247g/mol |
| Monoisotopic Mass | 225.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number