UCSF

ZINC02381664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

Popular Name: 3-Chloro-2,6-difluorobenzoic acid 3-Chloro-2,6-difluorobenzoic acid

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CAS Numbers: 225104-76-7 , [225104-76-7]

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) 2.37 1.96 -53.7 0 2 -1 40 191.54 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 126-128? Alfa-Aesar
Melting_Point 126-128° Alfa-Aesar
Purity 97% Matrix Scientific
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.