UCSF

ZINC00088362

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: methyl 3-bromo-4-methoxybenzoate methyl 3-bromo-4-methoxybenzoate

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CAS Numbers: , 35450-37-4 , [35450-37-4]

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) 2.90 1.69 -7.4 0 3 0 36 245.072 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar

Activity (Go SEA)

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