| CAS Number | 1003858-63-6 |
| Catalog Number | AG0001UT(AGN-PC-0CTP74) |
| Chemical Name | Benzenamine, 5-methyl-4-nitro-2-[2-(trimethylsilyl)ethynyl]- |
| IUPAC Name | 5-methyl-4-nitro-2-(2-trimethylsilylethynyl)aniline |
| InChI | InChI=1S/C12H16N2O2Si/c1-9-7-11(13)10(5-6-17(2,3)4)8-12(9)14(15)16/h7-8H,13H2,1-4H3 |
| InChI Key | YZTDWZCGZWORTO-UHFFFAOYSA-N |
| MDL Number | MFCD27940787 |
| Molecular Formula | C12H16N2O2Si |
| Molecular Weight | 248.3531 |
| SMILES | CC=1C(=CC(=C(C1)N)C#C[Si](C)(C)C)[N+](=O)[O-] |
| Synonyms | 1003858-63-6,
SCHEMBL2989825,
[5-Methyl-4-nitro-2-(trimethylsilanylethynyl)phenyl]amine,
Benzenamine, 5-methyl-4-nitro-2-[2-(trimethylsilyl)ethynyl]-,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.357g/mol |
| Monoisotopic Mass | 248.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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