| CAS Number | 1393442-21-1 |
| Catalog Number | AG009WZA(AGN-PC-0WA9BE) |
| Chemical Name | 4-(4-Formylphenyl)-N,N-dimethylbenzamide |
| IUPAC Name | 4-(4-formylphenyl)-N,N-dimethylbenzamide |
| InChI | InChI=1S/C16H15NO2/c1-17(2)16(19)15-9-7-14(8-10-15)13-5-3-12(11-18)4-6-13/h3-11H,1-2H3 |
| InChI Key | RHTMTLLYPBDCFB-UHFFFAOYSA-N |
| MDL Number | MFCD22383730 |
| Molecular Formula | C16H15NO2 |
| Molecular Weight | 253.2958 |
| SMILES | O=Cc1ccc(cc1)c1ccc(cc1)C(=O)N(C)C |
| Synonyms | 4-(4-Formylphenyl)-N,N-dimethylbenzamide,
1393442-21-1,
ZINC95495660,
V2932,
B-8917,
C16H15NO2,
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| Complexity | 311 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.301g/mol |
| Monoisotopic Mass | 253.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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