UCSF

ZINC00119977

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 4-[(2-fluorobenzyl)oxy]benzenecarbonitrile 4-[(2-fluorobenzyl)oxy]benzeneca…

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CAS Number: 852690-97-2

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) 3.46 3.62 -6.4 0 2 0 33 227.238 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 8.000000000000000e+001 - 8.100000000000000e+001 KeyOrganics
melting_point 80 - 81 KeyOrganics
MP 80-81° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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