UCSF

ZINC04268583

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 17 No

Popular Name: Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate Methyl 3-amino-5-nitro-1-benzoth…

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CAS Numbers: , 34674-75-4

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) 2.32 0.04 -8.43 2 6 0 98 252.251 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP >240° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

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