UCSF

ZINC04235095

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 6-chlorobenzo[b]thiophene-2-carboxylic acid 6-chlorobenzo[b]thiophene-2-carb…

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CAS Numbers: 1208973-92-5 , 26018-73-5 , [26018-73-5]

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) 3.37 -0.4 -46.97 0 2 -1 40 211.649 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 271 - 274 KeyOrganics
MP 271-274° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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