| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 3-Amino-4-chlorobenzonitrile 3-Amino-4-chlorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53312-79-1 , [53312-79-1]
3-Amino-4-chlorobenzonitrile 96%
3-AMINO-4-CHLOROBENZONITRILE; [53312-79-1]
| 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) | 1.78 | 3.36 | -4.47 | 2 | 2 | 0 | 50 | 152.584 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 87 - 91 | Enamine Building Blocks |
| M.P | 87-91 °C | Indofine |
| MP | 87-91° | Matrix Scientific |
| MP | 87...91 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 90 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.