| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 6 | Yes |
Popular Name: 3-Bromopyrazole 3-Bromopyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1174132-74-1 , 14521-80-3 , [117413-27-1] , [1174132-74-1] , [14521-80-3]
| 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) | 1.25 | 1.46 | -5.89 | 1 | 2 | 0 | 29 | 146.975 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 1.45 | -3.25 | 1 | 2 | 0 | 29 | 146.975 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 264-265° | Oakwood Chemical |
| MP | 61-64°(dec) | Matrix Scientific |
| MP | 74 - 76 | Enamine Building Blocks |
| MP | 74...76 | Enamine Building Blocks |
| MP | 88 - 90 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0290991A1; EP0290991B1; EP0347689A1; EP0347689B1; EP0496617A1; EP0496617B1; EP0574781A2; EP0574781A3; EP0586632A1; EP0657424A1; EP0657424B1; EP0961775A2; US4111681; US4945167; US4957971; US5102893; US5262412; US5405969; WO1993017010A1; WO2000007996A2 | IBM Patent Data |
| Warnings | IRRITANT, KEEP COLD | Matrix Scientific |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.