UCSF

ZINC16158456

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 13 No

Popular Name: 2-Fluoro-3-nitrobenzoic Acid 2-Fluoro-3-nitrobenzoic Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 317-46-4 , [317-46-4]

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) 1.54 4.76 -51.24 0 5 -1 86 184.102 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 137-139° Matrix Scientific
MP 137-142° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
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.