UCSF

ZINC19616312

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 11 No

Popular Name: 3-Fluoro-5-nitrotoluene 3-Fluoro-5-nitrotoluene

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CAS Numbers: 499-08-1 , [499-08-1]

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) 2.44 5.89 -5.56 0 3 0 46 155.128 1 ↓
Hi High (pH 8-9.5) 7.50 15.8 -63.92 2 10 -1 137 616.735 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 43-47° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.