UCSF

ZINC00081674

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: 3-[(2-Chloro-6-fluorobenzyl)oxy]benzaldehyde 3-[(2-Chloro-6-fluorobenzyl)oxy]…

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CAS Numbers: 336879-99-3 , 63007-83-0 , [336879-99-3]

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) 4.10 2.33 -8.21 0 2 0 26 264.683 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 140? dec. Alfa-Aesar
Melting_Point 140° dec. Alfa-Aesar
melting_point 7.500000000000000e+001 - 7.700000000000000e+001 KeyOrganics
melting_point 75 - 77 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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