| CAS Number | 1268816-57-4 |
| Catalog Number | AG00HRLH(AGN-PC-0WG409) |
| Chemical Name | 7-Fluoro-5-nitroindoline |
| IUPAC Name | 7-fluoro-5-nitro-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C8H7FN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h3-4,10H,1-2H2 |
| InChI Key | HRSVTAASZBEJPK-UHFFFAOYSA-N |
| MDL Number | MFCD28667721 |
| Molecular Formula | C8H7FN2O2 |
| Molecular Weight | 182.1518 |
| SMILES | Fc1cc(cc2c1NCC2)[N+](=O)[O-] |
| Synonyms | 7-Fluoro-5-nitroindoline,
1268816-57-4,
SCHEMBL10180113,
HRSVTAASZBEJPK-UHFFFAOYSA-N,
MFCD28667721,
AKOS027255660,
ZINC204796388,
7-fluoro-5-nitro-2,3-dihydro-1H-indole,
CS-0035523,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.154g/mol |
| Monoisotopic Mass | 182.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number