| CAS Number | 892414-51-6 |
| Catalog Number | AG00GTYA(AGN-PC-0WQVCA) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]- |
| IUPAC Name | 2-[[6-chloro-4-nitro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
| InChI | InChI=1S/C14H17ClF3N3O3Si/c1-25(2,3)5-4-24-8-20-7-9(14(16,17)18)12-10(21(22)23)6-11(15)19-13(12)20/h6-7H,4-5,8H2,1-3H3 |
| InChI Key | XHUJDCUEPMDAEO-UHFFFAOYSA-N |
| MDL Number | MFCD26960978 |
| Molecular Formula | C14H17ClF3N3O3Si |
| Molecular Weight | 395.8368 |
| SMILES | ClC1=CC(=C2C(=N1)N(C=C2C(F)(F)F)COCC[Si](C)(C)C)[N+](=O)[O-] |
| Synonyms | 892414-51-6,
6-Chloro-4-nitro-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine,
CS-M2170,
ZINC214486541,
CS-14615,
1-[[2-(Trimethylsilyl)ethoxy]methyl]-3-(trifluoromethyl)-4-nitro-6-chloro-1H-pyrrolo[2,3-b]pyridine,
1H-Pyrrolo[2,3-b]pyridine,6-chloro-4-nitro-3-(trifluoroMethyl)-1-[[2-(triMethylsilyl)ethoxy]Methyl]-,
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-,
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| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.838g/mol |
| Monoisotopic Mass | 395.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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