UCSF

ZINC01995116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 11 Yes

Popular Name: 3,5-Dichloro-4-hydroxybenzonitrile 3,5-Dichloro-4-hydroxybenzonitrile

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CAS Numbers: 1891-95-8 , 5635-67-6 , [1891-95-8]

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) 2.69 0.44 -4.94 1 2 0 44 188.013 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 143-144? Alfa-Aesar
Melting_Point 143-144° Alfa-Aesar
Purity >95% 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.