UCSF

ZINC02510117

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Chlorobenzoylacetonitrile 2-Chlorobenzoylacetonitrile

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CAS Numbers: 40018-25-5 , [40018-25-5]

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) 1.55 5.95 -16.59 0 2 0 41 179.606 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 54-58? Alfa-Aesar
Melting_Point 54-58° Alfa-Aesar
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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