UCSF

ZINC08762650

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 15 Yes

Popular Name: Methyl 2-fluoro-5-(trifluoromethyl)benzoate Methyl 2-fluoro-5-(trifluorometh…

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CAS Numbers: 556112-92-6 , [556112-92-6]

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 5.16 -6.92 0 2 0 26 222.137 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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