UCSF

ZINC03957244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 12 Yes

Popular Name: 5-Bromo-2-methoxybenzoic acid 5-Bromo-2-methoxybenzoic acid

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CAS Numbers: , 2476-35-9 , [2476-35-9]

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) 2.72 5.74 -51.39 0 3 -1 49 230.037 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 112 - 114 Enamine Building Blocks
MP 112...114 Enamine Building Blocks
MP 118-122° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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