In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 18 | Yes |
Popular Name: ethyl 5-bromo-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate ethyl 5-bromo-1-(4-methylphenyl)…
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CAS Numbers: 959578-19-9 , [959578-19-9]
5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester
Ethyl 5-bromo-1-(p-tolyl)-1H-pyrazole-4-carboxylate
ethyl5-bromo-1-(4-methylphenyl)-1h-pyrazole-4-carboxylate
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) | 3.18 | 2.43 | -6.95 | 0 | 4 | 0 | 44 | 309.163 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 7.300000000000000e+001 - 7.500000000000000e+001 | KeyOrganics |
melting_point | 73 - 75 | KeyOrganics |
MP | 73-75° | Matrix Scientific |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.