UCSF

ZINC02557841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid 3-Chloro-4-fluoro-1-benzothiophe…

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CAS Numbers: 588676-90-8 , [588676-90-8]

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) 3.44 0.24 -52.66 0 2 -1 40 229.639 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 90% Fluorochem
Warnings IRRITANT Matrix Scientific

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