UCSF

ZINC00161939

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 No

Popular Name: 5-nitro-1-benzothiophene-2-carboxylic acid 5-nitro-1-benzothiophene-2-carbo…

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CAS Numbers: 6345-55-7 , [6345-55-7]

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) 2.65 0.26 -45.48 0 5 -1 85 222.201 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 239-241° Matrix Scientific
melting_point 243 - 245 KeyOrganics
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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