UCSF

ZINC02600101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 14 Yes

Popular Name: 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile 2-Fluoro-6-(trifluoromethyl)phen…

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CAS Numbers: 179946-34-0 , [179946-34-0]

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) 2.87 5.31 -7.2 0 1 0 24 203.138 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 229° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings TOXIC Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.