UCSF

ZINC03997682

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 No

Popular Name: N-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine N-[2-Nitro-4-(trifluoromethyl)ph…

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CAS Numbers: 1692-79-1 , [1692-79-1]

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 3.35 -7.2 0 4 0 49 274.242 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 48-50° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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