| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 11 | No |
Popular Name: 2-Chloro-5-nitrotoluene 2-Chloro-5-nitrotoluene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13290-74-9 , [13290-74-9]
1-chloro-2-methyl-4-nitrobenzene
2-Chloro-5-Nitrobenzotrifluoride [777-37-7]; (2-Chloro-5-nitro-a,a,a-trifluorotoluene)
| 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 | -4.48 | 0 | 3 | 0 | 46 | 171.583 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 155 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 42-44? | Alfa-Aesar |
| Melting_Point | 42-44° | Alfa-Aesar |
| MP | 44 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Boiling_Point | 94-96?/4mm | Alfa-Aesar |
| Boiling_Point | 94-96°/4mm | Alfa-Aesar |
| purity | 95 | Enamine Building Blocks |
| BP | 96 / 3.8 | TCI |
| Purity | 98% | Fluorochem |
