UCSF

ZINC02513563

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Chloro-3-fluorobenzonitrile 2-Chloro-3-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 874781-08-5 , [874781-08-5]

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) 2.44 5.34 -7.54 0 1 0 24 155.559 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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