UCSF

ZINC00166283

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

Popular Name: 2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile 2-(4-benzoylphenyl)-2-(4-fluorop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 446275-89-4 , [446275-89-4]

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) 4.91 12.13 -13.1 0 2 0 41 315.347 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 88 - 90 KeyOrganics
MP 88-90° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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