| CAS Number | 80419-13-2 |
| Catalog Number | AG019GVD |
| Chemical Name | 2-cyano-N-(4-phenoxyphenyl)acetamide |
| IUPAC Name | 2-cyano-N-(4-phenoxyphenyl)acetamide |
| InChI | InChI=1S/C15H12N2O2/c16-11-10-15(18)17-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18) |
| InChI Key | OXHIWEJGDRONFQ-UHFFFAOYSA-N |
| MDL Number | MFCD03376769 |
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.2680 |
| SMILES | O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)CC#N |
| Synonyms | 2-cyano-N-(4-phenoxyphenyl)acetamide,
80419-13-2,
2-Cyano-N-(4-phenoxy-phenyl)-acetamide,
Enamine_003000,
AC1NB97G,
AC1Q5GT4,
Oprea1_852042,
SCHEMBL12297970,
CTK7C9453,
HMS1402I08,
ZINC3885168,
AKOS000115049,
MCULE-8561568021,
NE43552,
NCGC00324155-01,
EN300-01396,
AB01320275-02,
Z56837084,
ZINC03885168,
CID4464461,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.273g/mol |
| Monoisotopic Mass | 252.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number