UCSF

ZINC19616036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 11 Yes

Popular Name: 2,4-Difluoro-5-methylbenzonitrile 2,4-Difluoro-5-methylbenzonitrile

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CAS Numbers: 329314-68-3 , [329314-68-3]

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) 2.32 5.63 -4.96 0 1 0 24 153.131 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 43-50? Alfa-Aesar
Melting_Point 43-50° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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