UCSF

ZINC02382636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 No

Popular Name: 4-Fluoro-3-nitrobenzonitrile 4-Fluoro-3-nitrobenzonitrile

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CAS Numbers: 1009-35-4 , [1009-35-4]

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) 1.74 5.58 -10.62 0 4 0 70 166.111 1 ↓
Hi High (pH 8-9.5) -0.20 0.12 -97.27 6 11 2 150 409.454 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 90-94? Alfa-Aesar
Melting_Point 90-94° Alfa-Aesar
MP 90.5-91.5° Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 97% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.