UCSF

ZINC11803994

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 13 Yes

Popular Name: Methyl 5-amino-2,4-difluorobenzoate Methyl 5-amino-2,4-difluorobenzoate

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CAS Numbers: 105942-09-4 , 125568-73-2 , [125568-73-2]

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) 1.44 3.15 -7.37 2 3 0 52 187.145 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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