UCSF

ZINC01503421

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 19 Yes

Popular Name: 4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}aniline 4-{[3-Chloro-5-(trifluoromethyl)…

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CAS Numbers: 71422-80-5 , [71422-80-5]

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) 3.37 0.08 -4.89 2 3 0 48 288.656 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 90-92° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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