UCSF

ZINC01387990

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 13 Yes

Popular Name: 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carbonitrile 5-Chloro-1-Methyl-3-(Trifluorome…

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CAS Numbers: 219568-17-9 , [219568-17-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.01 4.23 -6.02 0 3 0 42 209.558 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 84-86° Fluorochem
Purity >95% Matrix Scientific
melting_point BP: (0.7mm Hg) 83 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )