UCSF

ZINC00156230

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 3,4-Dichlorobenzoylacetonitrile 3,4-Dichlorobenzoylacetonitrile

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CAS Numbers: 4640-68-0 , [4640-68-0]

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) 2.20 2.49 -17.2 0 2 0 41 214.051 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 117 KeyOrganics
Melting_Point 114-117? Alfa-Aesar
Melting_Point 114-117° Alfa-Aesar
Purity 96% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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