UCSF

ZINC12954094

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Substance Information

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

Popular Name: 2-Fluoro-4-(trifluoromethyl)phenylacetic Acid 2-Fluoro-4-(trifluoromethyl)phen…

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CAS Numbers: 209991-64-0 , [209991-64-0]

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) 2.35 5.96 -45.18 0 2 -1 40 221.129 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 78-81? Alfa-Aesar
Melting_Point 78-81° Alfa-Aesar
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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