UCSF

ZINC14989270

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 No

Popular Name: 4-Bromo-2-nitrobenzaldehyde 4-Bromo-2-nitrobenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1333837.0 , 5551-12-2 , 908334-04-3 , [5551-12-2]

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) 2.42 5.29 -4.8 0 4 0 63 230.017 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 100 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
MP 95-97° Matrix Scientific
MP 95...100 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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