UCSF

ZINC02600071

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 12 Yes

Popular Name: 3',5'-Difluoropropiophenone 3',5'-Difluoropropiophenone

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CAS Numbers: 135306-45-5 , [135306-45-5]

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 3.19 -5.37 0 1 0 17 170.158 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 25-27? Alfa-Aesar
Melting_Point 25-27° Alfa-Aesar
Boiling_Point 82?/10mm Alfa-Aesar
Boiling_Point 82°/10mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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