UCSF

ZINC00056468

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10/9/5392 12:00:00 AM , 1275711.0 , 5392-10-9 , [5392-10-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.11 1.24 -6.27 0 3 0 36 245.072 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 147-152? Alfa-Aesar
Melting_Point 147-152° Alfa-Aesar
MP 148 TCI
MP 150 - 151 Enamine Building Blocks
MP 150-151° Oakwood Chemical
MP 150...151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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