| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 3-Bromo-4-fluorobenzonitrile 3-Bromo-4-fluorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 79630-23-2 , [79630-23-2]
"3-Bromo-4-fluorobenzonitrile, 99%"
3-Bromo-4-fluorobenzonitrile 98%
3-Bromo-4-Fluorobenzonitrile [79630-23-2]
| 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) | 2.59 | 2.55 | -5.12 | 0 | 1 | 0 | 24 | 200.01 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 134-136?/33mm | Alfa-Aesar |
| Boiling_Point | 134-136°/33mm | Alfa-Aesar |
| MP | 53 - 55 | Enamine Building Blocks |
| MP | 53-55° | Matrix Scientific |
| MP | 53...55 | Enamine Building Blocks |
| Melting_Point | 54-58? | Alfa-Aesar |
| Melting_Point | 54-58° | Alfa-Aesar |
| MP | 57 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97 | APIChem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.