| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | Yes |
Popular Name: 2-Chloro-4-methylbenzonitrile 2-Chloro-4-methylbenzonitrile
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CAS Numbers: 21423-84-7 , [21423-84-7]
2-Chloro-4-methyl benzonitrile
2-Chloro-4-methyl-benzonitrile
3-Chloro-4-Cyanobenzotrifluoride [1813-33-8]; (2-Chloro-4-(trifluoromethyl)benzonitrile)
| 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) | 2.75 | 2.68 | -5.87 | 0 | 1 | 0 | 24 | 151.596 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.