UCSF

ZINC00154427

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 2-Chloro-6-(trifluoromethyl)nicotinonitrile 2-Chloro-6-(trifluoromethyl)nico…

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CAS Numbers: 386704-06-9 , 389117-37-7 , [386704-06-9]

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) 2.39 3.51 -7.63 0 2 0 37 206.554 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 37-38C Indofine
MP 37-38° Matrix Scientific
MP 38 - 40 Enamine Building Blocks
MP 38...40 Enamine Building Blocks
BP 74-76°/0.8mm Oakwood Chemical
BP 74-76°/1mb Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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