UCSF

ZINC02522119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Popular Name: ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate ethyl 1-(3-chlorophenyl)-5-(trif…

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CAS Numbers: 112055-35-3 , [112055-35-3]

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) 3.80 4.26 -7.03 0 4 0 44 318.682 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 76-78° Fluorochem
Purity 97% Fluorochem

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