UCSF

ZINC00028454

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 2-amino-3,5-dichlorobenzoic acid 2-amino-3,5-dichlorobenzoic acid

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CAS Numbers: 2789-92-6 , [2789-92-6]

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) 2.72 3.28 -41.34 2 3 -1 66 205.02 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 225-227? Alfa-Aesar
Melting_Point 225-227° Alfa-Aesar
MP 227 - 230 Enamine Building Blocks
M.P 227-230 °C Indofine
MP 227-230° Oakwood Chemical
MP 227...230 Enamine Building Blocks
MP 233 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem

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