UCSF

ZINC00159430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2,3-Dichlorobenzonitrile 2,3-Dichlorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6574-97-6 , [6574-97-6]

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) 2.95 2.23 -6.84 0 1 0 24 172.014 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114?/6mm Alfa-Aesar
Boiling_Point 114°/6mm Alfa-Aesar
M.P 60-64 °C Indofine
MP 60-64° Oakwood Chemical
Melting_Point 60-65? Alfa-Aesar
Melting_Point 60-65° Alfa-Aesar
MP 61-63° Matrix Scientific
Purity 98% Matrix Scientific
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.