UCSF

ZINC01701210

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 3-Fluoro-2-hydroxybenzoic acid 3-Fluoro-2-hydroxybenzoic acid

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CAS Numbers: 341-27-5 , [341-27-5]

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) 1.78 2.24 -49.72 1 3 -1 60 155.104 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 142-145° Fluorochem
mp 142.5 - 143.5 MolMall (formerly Molecular Diversity Preservation International)
MP 144-145° Matrix Scientific
Melting_Point 146-148? Alfa-Aesar
Melting_Point 146-148° Alfa-Aesar
Melting_Point 146-151? Alfa-Aesar
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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