UCSF

ZINC12359225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: 3,5-Difluoro-2-methoxybenzonitrile 3,5-Difluoro-2-methoxybenzonitrile

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CAS Numbers: 874804-08-7 , 886496-72-6

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) 1.93 4.45 -4.91 0 2 0 33 169.13 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
Purity 97% Fluorochem

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