UCSF

ZINC02382178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 Yes

Popular Name: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid 3-Chloro-2-fluoro-5-(trifluorome…

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CAS Numbers: 129931-45-9 , [129931-45-9]

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) 3.10 3.43 -43.24 0 2 -1 40 241.547 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 89-91? Alfa-Aesar
Melting_Point 89-91° Alfa-Aesar
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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