UCSF

ZINC01688887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 2-(2,4-dichlorophenoxy)acetonitrile 2-(2,4-dichlorophenoxy)acetonitrile

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CAS Numbers: 3956-63-6 , [3956-63-6]

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) 3.06 2.07 -10.23 0 2 0 33 202.04 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 46-51? Alfa-Aesar
Melting_Point 46-51° Alfa-Aesar
Purity 97% Fluorochem

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