UCSF

ZINC16158185

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 11 Yes

Popular Name: 2,4-DICHLORO-3-FLUOROBENZONITRILE 2,4-DICHLORO-3-FLUOROBENZONITRILE

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CAS Numbers: 161612-68-6 , [161612-68-6]

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) 3.07 5.85 -6.22 0 1 0 24 190.004 0 ↓

Vendor Notes

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

Activity (Go SEA)

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