UCSF

ZINC02243216

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 10 Yes

Popular Name: 3-Fluoro-5-methylbenzonitrile 3-Fluoro-5-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 216976-30-6 , [216976-30-6]

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) 2.23 3.64 -4.49 0 1 0 23 135.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 53-56? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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