| CAS Number | 1393441-87-6 |
| Catalog Number | AG009WZ0(AGN-PC-0WAEKM) |
| Chemical Name | N-Ethyl-3-(4-formylphenyl)benzamide |
| IUPAC Name | N-ethyl-3-(4-formylphenyl)benzamide |
| InChI | InChI=1S/C16H15NO2/c1-2-17-16(19)15-5-3-4-14(10-15)13-8-6-12(11-18)7-9-13/h3-11H,2H2,1H3,(H,17,19) |
| InChI Key | JFPYZQNCZACZID-UHFFFAOYSA-N |
| MDL Number | MFCD22383732 |
| Molecular Formula | C16H15NO2 |
| Molecular Weight | 253.2958 |
| SMILES | CCNC(=O)c1cccc(c1)c1ccc(cc1)C=O |
| Synonyms | N-Ethyl-3-(4-formylphenyl)benzamide,
1393441-87-6,
ZINC95495662,
AKOS026673165,
V2917,
B-8919,
C16H15NO2,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.301g/mol |
| Monoisotopic Mass | 253.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number