| CAS Number | 1003858-68-1 |
| Catalog Number | AG01AFW1(AGN-PC-0WO8U3) |
| Chemical Name | 4-Fluoro-5-nitro-2,3-dihydro-1H-indole |
| IUPAC Name | 4-fluoro-5-nitro-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C8H7FN2O2/c9-8-5-3-4-10-6(5)1-2-7(8)11(12)13/h1-2,10H,3-4H2 |
| InChI Key | IZJPDEDMUHMSKG-UHFFFAOYSA-N |
| MDL Number | MFCD27920246 |
| Molecular Formula | C8H7FN2O2 |
| Molecular Weight | 182.1518 |
| SMILES | FC1=C2CCNC2=CC=C1[N+](=O)[O-] |
| Synonyms | 4-fluoro-5-nitro-2,3-dihydro-1H-indole,
1003858-68-1,
1H-Indole, 4-fluoro-2,3-dihydro-5-nitro-,
4-fluoro-5-nitro-indoline,
SCHEMBL1126861,
IZJPDEDMUHMSKG-UHFFFAOYSA-N,
ZINC95884029,
4-fluoro-5-nitro-2,3-dihydroindole,
4-fluoro-5-nitro-2,3-dihydro-indole,
AKOS026728936,
NE35135,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number