| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 11 | No |
Popular Name: 2-Fluoro-4-isocyanato-1-methylbenzene 2-Fluoro-4-isocyanato-1-methylbe…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102561-42-2 , 351003-65-1 , [102561-42-2]
3-Fluoro-4-Methyl Isocyanate [102561-42-2]
3-Fluoro-4-methylphenyl isocyanate
3-Fluoro-4-methylphenyl isocyanate 97%
3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE
3-Fluoro-4-methylphenylisocyanate
4-Fluoro-3-methylphenylisocyanate
| 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) | 2.31 | 2.05 | -2.73 | 0 | 2 | 0 | 29 | 151.14 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 187-192° | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant-Harmful/Moisture Sensitive/Refrigerate/Lachrymator/Stored under Argon | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.