UCSF

ZINC16158661

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 14 Yes

Popular Name: 4-Fluoro-3-(methylsulphonyl)benzoic acid 4-Fluoro-3-(methylsulphonyl)benz…

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CAS Numbers: 158608-00-5 , 75336-86-6

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) 1.25 1.68 -52.47 0 4 -1 74 217.197 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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