| CAS Number | 1365272-53-2 |
| Catalog Number | AG001203(AGN-PC-0WAED8) |
| Chemical Name | N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide |
| IUPAC Name | N-[(4-cyanophenyl)-(4-fluorophenyl)methyl]acetamide |
| InChI | InChI=1S/C16H13FN2O/c1-11(20)19-16(14-6-8-15(17)9-7-14)13-4-2-12(10-18)3-5-13/h2-9,16H,1H3,(H,19,20) |
| InChI Key | HBDSWDUDNYFTMJ-UHFFFAOYSA-N |
| MDL Number | MFCD21609716 |
| Molecular Formula | C16H13FN2O |
| Molecular Weight | 268.2856 |
| SMILES | N#Cc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C |
| Synonyms | N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide,
1365272-53-2,
ACMC-209c8a,
CTK8B0553,
DTXSID90742902,
ANW-20120,
MFCD21609716,
TC-108865,
V2613,
B-9384,
Acetamide, N-[(4-cyanophenyl)(4-fluorophenyl)methyl]-,
C16H13FN2O,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.291g/mol |
| Monoisotopic Mass | 268.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number