UCSF

ZINC00103941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: N-(4-fluorobenzyl)urea N-(4-fluorobenzyl)urea

Find On: PubMed — Wikipedia — Google

CAS Numbers: 76523-24-5 , [76523-24-5]

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) 0.94 0.78 -8.43 3 3 0 55 168.171 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 172-175? Alfa-Aesar
Melting_Point 172-175° Alfa-Aesar
melting_point 185 - 187 KeyOrganics
MP 185-187° 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.