UCSF

ZINC00068082

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: Ethyl 3-methyl-4-nitrobenzoate Ethyl 3-methyl-4-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 30650-90-9 , [30650-90-9]

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) 2.82 3.05 -6.23 0 5 0 72 209.201 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 53-55? Alfa-Aesar
Melting_Point 53-55° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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