UCSF

ZINC03883314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 3-fluoro-4'-methoxy[1,1'-biphenyl]-4-carbonitrile 3-fluoro-4'-methoxy[1,1'-bipheny…

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CAS Numbers: 123864-93-7 , [123864-93-7]

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) 3.64 3.83 -8.5 0 2 0 33 227.238 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 151 - 152 KeyOrganics
MP 151-152° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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