UCSF

ZINC00121199

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: ethyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate ethyl 2-[3-(trifluoromethyl)phen…

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CAS Numbers: 132089-39-5 , [132089-39-5]

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) 4.11 3.08 -7.32 0 3 0 39 301.289 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 96 KeyOrganics
MP 93-96° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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