UCSF

ZINC00157433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4-Methoxy-3-(trifluoromethyl)benzonitrile 4-Methoxy-3-(trifluoromethyl)ben…

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CAS Numbers: 261951-87-5 , [261951-87-5]

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 4.85 -7.54 0 2 0 33 201.147 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Melting_Point 98-100? Alfa-Aesar
Melting_Point 98-100° Alfa-Aesar
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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