| CAS Number | 172078-32-9 |
| Catalog Number | AG00HZKB(AGN-PC-022SSI) |
| Chemical Name | 6-Chloro-5-nitro-2,3-dihydro-1h-indole |
| IUPAC Name | 6-chloro-5-nitro-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C8H7ClN2O2/c9-6-4-7-5(1-2-10-7)3-8(6)11(12)13/h3-4,10H,1-2H2 |
| InChI Key | HTTPYSPFYDKFME-UHFFFAOYSA-N |
| MDL Number | MFCD28671981 |
| Molecular Formula | C8H7ClN2O2 |
| Molecular Weight | 198.6064 |
| SMILES | O=[N+]([O-])C1=CC2=C(C=C1Cl)NCC2 |
| Synonyms | 172078-32-9,
6-chloro-5-nitro-2,3-dihydro-1H-indole,
6-Chloro-5-nitroindoline,
1H-Indole, 6-chloro-2,3-dihydro-5-nitro-,
6-chloro-5-nitro-indoline,
SCHEMBL8646022,
HTTPYSPFYDKFME-UHFFFAOYSA-N,
MFCD28671981,
ZINC142044547,
KS-000005C9,
AS-52636,
6?chloro?5?nitro?2,3?dihydro?1H?indole,
CS-0050216,
6chloro5nitro2,3dihydro1Hindole,
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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 | 198.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.606g/mol |
| Monoisotopic Mass | 198.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number