UCSF

ZINC02579774

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Substance Information

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

Popular Name: 3-Fluorobenzoylacetonitrile 3-Fluorobenzoylacetonitrile

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CAS Numbers: 21667-61-8 , [21667-61-8]

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) 1.06 5.5 -17.69 0 2 0 41 163.151 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 67-72° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem

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