UCSF

ZINC22995906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 15 Yes

Popular Name: Methyl 4-fluoro-2-(trifluoromethyl)benzoate Methyl 4-fluoro-2-(trifluorometh…

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CAS Numbers: 220141-23-1 , [220141-23-1]

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) 2.76 6.01 -7.28 0 2 0 26 222.137 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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Rings

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