UCSF

ZINC01714723

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: Cyclobutyl 4-fluorophenyl ketone Cyclobutyl 4-fluorophenyl ketone

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CAS Number: 31431-13-7

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) 2.67 2.27 -5.49 0 1 0 17 178.206 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 125 - 127 (p=8 torr) Acros Organics
Boiling_Point 125-127?/8mm Alfa-Aesar
Boiling_Point 125-127°/8mm Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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