UCSF

ZINC15442954

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 14 Yes

Popular Name: 2-Methoxy-5-(trifluoromethyl)benzonitrile 2-Methoxy-5-(trifluoromethyl)ben…

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CAS Number: 34636-92-5

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) 2.57 5.2 -7.44 0 2 0 33 201.147 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Purity 97% Fluorochem

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