| CAS Number | 1374423-01-4 |
| Catalog Number | AG00139W(AGN-PC-0WD87V) |
| Chemical Name | 1-methyl-6-nitro-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 1-methyl-6-nitro-3H-indol-2-one |
| InChI | InChI=1S/C9H8N2O3/c1-10-8-5-7(11(13)14)3-2-6(8)4-9(10)12/h2-3,5H,4H2,1H3 |
| InChI Key | RWDCBOPMGNVVOV-UHFFFAOYSA-N |
| MDL Number | MFCD29918538 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | CN1C(CC2=CC=C(C=C12)[N+](=O)[O-])=O |
| Synonyms | 1-methyl-6-nitro-2,3-dihydro-1H-indol-2-one,
1374423-01-4,
1-Methyl-6-nitroindolin-2-one,
KS-000005CS,
MFCD29918538,
AKOS030238742,
ZINC498050930,
AS-52971,
CS-0052434,
2H-Indol-2-one, 1,3-dihydro-1-methyl-6-nitro-,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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