UCSF

ZINC02577882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

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

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CAS Numbers: 137654-20-7 , [137654-20-7]

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) 1.63 3.44 -56.24 0 3 -1 49 169.131 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 - 142 oC Matrix Scientific
MP 140-142° Fluorochem
MP 149 - 151 Enamine Building Blocks
MP 149...151 Enamine Building Blocks
MP 157 - 160 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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