UCSF

ZINC31829484

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 13 Yes

Popular Name: Methyl 2-amino-3,4-difluorobenzoate Methyl 2-amino-3,4-difluorobenzoate

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CAS Numbers: 170108-07-3 , [170108-07-3]

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) 1.96 3.19 -5.14 2 3 0 52 187.145 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP 96-98° Oakwood Chemical
Purity 97% Matrix Scientific
Purity 99% Fluorochem
Warnings Irritant Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.