UCSF

ZINC00153345

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Methyl 2-(trifluoromethyl)benzoate Methyl 2-(trifluoromethyl)benzoate

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CAS Numbers: 344-96-7 , [344-96-7]

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) 2.62 4.18 -9.25 0 2 0 26 204.147 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-105?/25mm Alfa-Aesar
Boiling_Point 104-105°/25mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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