UCSF

ZINC02569269

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Bromo-4-fluoro-1-nitrobenzene 2-Bromo-4-fluoro-1-nitrobenzene

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CAS Numbers: 700-36-7 , [700-36-7]

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) 2.80 1.73 -5.37 0 3 0 46 219.997 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 41-45? Alfa-Aesar
MP 42° Fluorochem
MP 44 TCI
BP 70-75°/0.4mm Oakwood Chemical
Purity 90% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1987003782A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.