UCSF

ZINC02566006

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 3,5-Dibromo-4-methoxybenzoic acid 3,5-Dibromo-4-methoxybenzoic acid

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CAS Numbers: 4073-35-2 , [4073-35-2]

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) 3.38 4.85 -41.86 0 3 -1 49 308.933 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 215-217o C Indofine
MP 224 °C Indofine
MP 224-226° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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