UCSF

ZINC02547857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

Popular Name: 3-Bromo-2-fluoronitrobenzene 3-Bromo-2-fluoronitrobenzene

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CAS Numbers: 58534-94-4 , [58534-94-4]

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) 2.77 5.78 -9.53 0 3 0 46 219.997 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 29-31° Matrix Scientific
MP 30-33° Oakwood Chemical
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity 99% Fluorochem
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.