UCSF

ZINC12471621

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 Yes

Popular Name: 3-Fluoro-5-methoxybenzoic acid 3-Fluoro-5-methoxybenzoic acid

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CAS Numbers: 176548-72-4 , [176548-72-4]

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) 2.00 3.48 -46.96 0 3 -1 49 169.131 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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