UCSF

ZINC12336555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 11 No

Popular Name: 2-Fluoro-4-formylbenzonitrile 2-Fluoro-4-formylbenzonitrile

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CAS Numbers: 101048-76-4 , [101048-76-4]

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) 1.57 4.64 -9.15 0 2 0 41 149.124 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 89 - 91 KeyOrganics
MP 89-91° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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