UCSF

ZINC16158446

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Substance Information

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

Popular Name: 2-Bromo-4,5-difluorobenzonitrile 2-Bromo-4,5-difluorobenzonitrile

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CAS Number: 64695-82-5

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) 2.69 5.51 -3.83 0 1 0 24 218 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 255.5° Matrix Scientific
MP 63-64° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% 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.