UCSF

ZINC16158458

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: 1000339-51-4 , [100033-95-2] , [1000339-51-4]

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) 2.06 5.56 -55.04 0 5 -1 86 184.102 2 ↓
Hi High (pH 8-9.5) 2.79 8.57 -52.52 6 10 1 140 550.569 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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