UCSF

ZINC12359161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 Yes

Popular Name: 2,4-Difluoro-3-methylbenzonitrile 2,4-Difluoro-3-methylbenzonitrile

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CAS Numbers: 847502-87-8 , [847502-87-8]

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) 2.32 4.25 -5.54 0 1 0 24 153.131 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 40-42° Oakwood Chemical
Melting_Point 42-45? Alfa-Aesar
Melting_Point 42-45° Alfa-Aesar
Purity 98% Fluorochem

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