| CAS Number | 313366-69-7 |
| Catalog Number | AG00CLTF(AGN-PC-0WOHWY) |
| Chemical Name | 5-(4-Cyanophenyl)-2-methoxybenzonitrile |
| IUPAC Name | 5-(4-cyanophenyl)-2-methoxybenzonitrile |
| InChI | InChI=1S/C15H10N2O/c1-18-15-7-6-13(8-14(15)10-17)12-4-2-11(9-16)3-5-12/h2-8H,1H3 |
| InChI Key | QAFNNLZSMCGJER-UHFFFAOYSA-N |
| MDL Number | MFCD00982585 |
| Molecular Formula | C15H10N2O |
| Molecular Weight | 234.2527 |
| SMILES | N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC |
| Synonyms | 5-(4-cyanophenyl)-2-methoxybenzonitrile,
313366-69-7,
AC1N62ZO,
Oprea1_820852,
ZINC1512258,
AKOS026673654,
CJ-05141,
K-7420,
ZINC01512258,
CID4253522,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.258g/mol |
| Monoisotopic Mass | 234.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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