UCSF

ZINC02512515

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Chloro-2-fluorobenzonitrile 4-Chloro-2-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 403-16-7 , 57381-51-8 , [57381-51-8]

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 3.12 -5.38 0 1 0 24 155.559 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 58-61? Alfa-Aesar
Melting_Point 58-61° Alfa-Aesar
MP 59-61° Matrix Scientific
MP 60 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92°/22mm Matrix Scientific
BP 92°/22mm Hg Fluorochem
purity 95 Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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