UCSF

ZINC00168753

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-ethanone 1-{3-[(2-chloro-6-fluorobenzyl)o…

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CAS Numbers: 400878-26-4 , N/A , [400878-26-4]

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) 4.21 2.41 -11.4 0 2 0 26 278.71 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.000000000000000e+001 - 6.200000000000000e+001 KeyOrganics
melting_point 60 - 62 KeyOrganics
MP 60-62° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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