UCSF

ZINC02169267

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 18 Yes

Popular Name: Methyl 3,5-bis(trifluoromethyl)benzoate Methyl 3,5-bis(trifluoromethyl)b…

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CAS Numbers: 26107-80-2 , [26107-80-2]

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) 3.83 6.66 -4.47 0 2 0 26 272.144 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 85-87?/15mm Alfa-Aesar
Boiling_Point 85-87°/15mm Alfa-Aesar
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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