| CAS Number | 84807-25-0 |
| Catalog Number | AG01C5HJ |
| Chemical Name | 1-(4-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| IUPAC Name | 1-(4-nitro-2,3-dihydroindol-1-yl)ethanone |
| InChI | InChI=1S/C10H10N2O3/c1-7(13)11-6-5-8-9(11)3-2-4-10(8)12(14)15/h2-4H,5-6H2,1H3 |
| InChI Key | HLWMKSWOOCBYDD-UHFFFAOYSA-N |
| MDL Number | MFCD28680430 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.198 |
| SMILES | CC(N1C2=CC=CC([N+]([O-])=O)=C2CC1)=O |
| Synonyms | 1-(4-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one,
84807-25-0,
Ethanone, 1-(2,3-dihydro-4-nitro-1H-indol-1-yl)-,
ZINC78149694,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number