UCSF

ZINC04132887

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 19 No

Popular Name: 1-[4-Nitro-2-(trifluoromethyl)phenyl]piperazine 1-[4-Nitro-2-(trifluoromethyl)ph…

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CAS Numbers: 1049789-26-5 , 381242-61-1 , [381242-61-1]

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) 2.12 0.62 -52.77 2 5 1 65 276.238 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 54-55° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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