UCSF

ZINC00057043

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 Yes

Popular Name: 5-Fluoro-2-(trifluoromethyl)benzoic acid 5-Fluoro-2-(trifluoromethyl)benz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 654-99-9 , [654-99-9]

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) 2.50 3.37 -47.05 0 2 -1 40 207.102 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 80-83? Alfa-Aesar
Melting_Point 80-83° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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