UCSF

ZINC00169940

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}aniline 2-{[3-chloro-5-(trifluoromethyl)…

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CAS Numbers: 98968-77-5 , [98968-77-5]

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) 3.73 4.22 -4.39 2 3 0 48 288.656 3 ↓

Vendor Notes

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

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