UCSF

ZINC02387727

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 321-23-3 , 446-09-3 , [321-23-3]

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 5.81 -6.26 0 3 0 46 219.997 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 52-55° Matrix Scientific
Melting_Point 84-88? Alfa-Aesar
MP 86 TCI
MP 86 - 88 Enamine Building Blocks
MP 86...88 Enamine Building Blocks
MP 88-91° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Purity 98% 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.