UCSF

ZINC02512522

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 4-Chloro-3-fluorobenzonitrile 4-Chloro-3-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110888-15-8 , [110888-15-8]

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) 2.46 3.15 -5.04 0 1 0 24 155.559 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 79-81? Alfa-Aesar
MP 79-81° Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

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