UCSF

ZINC21298915

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 14 No

Popular Name: Methyl 2-fluoro-5-nitrobenzenecarboxylate Methyl 2-fluoro-5-nitrobenzeneca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2965-22-2 , [2965-22-2]

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) 1.82 5.84 -8.28 0 5 0 72 199.137 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 49-51° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.