| CAS Number | 418787-86-7 |
| Catalog Number | AG0074DD(AGN-PC-0WB4AR) |
| Chemical Name | N-(3-acetylphenyl)-4-methyl-3-nitrobenzamide |
| IUPAC Name | N-(3-acetylphenyl)-4-methyl-3-nitrobenzamide |
| InChI | InChI=1S/C16H14N2O4/c1-10-6-7-13(9-15(10)18(21)22)16(20)17-14-5-3-4-12(8-14)11(2)19/h3-9H,1-2H3,(H,17,20) |
| InChI Key | DQMUQUOWRVOYRD-UHFFFAOYSA-N |
| MDL Number | MFCD01328042 |
| Molecular Formula | C16H14N2O4 |
| Molecular Weight | 298.2934 |
| SMILES | [N+](=O)([O-])C1C(C)=CC=C(C=1)C(=O)NC1C=CC=C(C(C)=O)C=1 |
| Synonyms | N-(3-acetylphenyl)-4-methyl-3-nitrobenzamide,
418787-86-7,
CHEMBRDG-BB 5566923,
AC1LHQAZ,
CBMicro_015730,
CTK4I5367,
DTXSID10357759,
ZINC431921,
MFCD01328042,
AKOS000193116,
MCULE-3767804280,
AJ-22835,
BIM-0015776.P001,
W-8192,
CID867444,
ZINC00431921,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.298g/mol |
| Monoisotopic Mass | 298.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number