UCSF

ZINC04837916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 13 Yes

Popular Name: 3-Bromo-4-Ethoxybenzoic Acid 3-Bromo-4-Ethoxybenzoic Acid

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CAS Numbers: , 24507-29-7 , [24507-29-7]

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) 3.02 0.15 -46.85 0 3 -1 49 244.064 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 213.8-215.2o C Indofine
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Ethyl acetate Indofine

Activity (Go SEA)

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