UCSF

ZINC01693306

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

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

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CAS Numbers: 6280-89-3 , [6280-89-3]

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) 2.17 0.62 -51.46 0 3 -1 49 185.586 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 171-173° Oakwood Chemical
Melting_Point 171-175? Alfa-Aesar
Melting_Point 171-175° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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