UCSF

ZINC16124322

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: 4-Bromo-2-methoxybenzoic acid 4-Bromo-2-methoxybenzoic acid

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CAS Numbers: 72135-36-5 , [72135-36-5]

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) 2.72 4.82 -50.47 0 3 -1 49 230.037 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
MP 155-159° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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