UCSF

ZINC02600102

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 15 Yes

Popular Name: 2-Fluoro-3-(trifluoromethyl)phenylacetic acid 2-Fluoro-3-(trifluoromethyl)phen…

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CAS Numbers: 178748-05-5 , 194943-83-4 , [194943-83-4]

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) 2.33 3.85 -48.87 0 2 -1 40 221.129 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 113-116? Alfa-Aesar
MP 113-116° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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