UCSF

ZINC12505596

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 Yes

Popular Name: Methyl 5-amino-2-fluorobenzoate Methyl 5-amino-2-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56741-34-5 , [56741-34-5]

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) 0.94 3.04 -9.41 2 3 0 52 169.155 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 84 - 86 Enamine Building Blocks
MP 84-86° Oakwood Chemical
MP 84...86 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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