UCSF

ZINC02560632

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 2',5'-Difluoropropiophenone 2',5'-Difluoropropiophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29112-90-1 , [29112-90-1]

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) 2.59 3.12 -7.65 0 1 0 17 170.158 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 39-40?/0.5mm Alfa-Aesar
Boiling_Point 39-40°/0.5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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