UCSF

ZINC08729895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 No

Popular Name: Methyl 2-fluoro-4-nitrobenzoate Methyl 2-fluoro-4-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 392-09-6 , [392-09-6]

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 5.85 -8.48 0 5 0 72 199.137 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 73 - 75 KeyOrganics
MP 73-75° 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.