| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 2-Chloro-1-methyl-4-nitrobenzene 2-Chloro-1-methyl-4-nitrobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 121-86-8 , 13290-74-9 , [121-86-8]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.95 | 1.89 | -5.86 | 0 | 3 | 0 | 46 | 171.583 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 260 | TCI |
| Boiling_Point | 260? | Alfa-Aesar |
| Boiling_Point | 260° | Alfa-Aesar |
| MP | 60 - 64 | Enamine Building Blocks |
| MP | 60...64 | Enamine Building Blocks |
| Melting_Point | 62-66? | Alfa-Aesar |
| Melting_Point | 62-66° | Alfa-Aesar |
| MP | 63 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
