UCSF

ZINC08730030

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 Yes

Popular Name: Methyl 7-chlorobenzo[b]thiophene-2-carboxylate Methyl 7-chlorobenzo[b]thiophene…

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CAS Numbers: 550998-56-6 , [550998-56-6] , [550998-66-8]

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) 3.61 1.16 -6.87 0 2 0 26 226.684 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 86 - 88 KeyOrganics
MP 86-88° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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