UCSF

ZINC19486910

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 Yes

Popular Name: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-one 1-[3-Chloro-5-(trifluoromethyl)p…

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CAS Numbers: 339029-35-5 , [339029-35-5]

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) 2.22 5.79 -5.49 0 3 0 33 278.661 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 62 - 65 KeyOrganics
MP 62-65° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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