UCSF

ZINC02561392

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 No

Popular Name: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbaldehyde 1-methyl-3-(trifluoromethyl)-5-[…

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CAS Number: 158712-22-2

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) 3.99 5.98 -7.67 0 4 0 44 338.207 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 82 KeyOrganics
MP 81-82° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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