UCSF

ZINC02572872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 2-Hydroxy-5-(trifluoromethoxy)benzoic acid 2-Hydroxy-5-(trifluoromethoxy)be…

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CAS Number: 129644-57-1

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) 2.82 0.87 -47.15 1 4 -1 70 221.11 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 131-133? Alfa-Aesar
Melting_Point 131-133° Alfa-Aesar
MP 132-133° Oakwood Chemical
mp 133 - 134 MolMall (formerly Molecular Diversity Preservation International)
Purity 98% Fluorochem

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