UCSF

ZINC33946165

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 12 Yes

Popular Name: 3-Chloro-2-methoxybenzoic acid 3-Chloro-2-methoxybenzoic acid

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CAS Numbers: 3260-93-3 , [3260-93-3]

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) 2.57 5.68 -47.94 0 3 -1 49 185.586 2 ↓
Hi High (pH 8-9.5) 2.27 5.95 -21.04 4 9 0 130 425.88 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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