UCSF

ZINC00167875

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde 4-[(4-Fluorobenzyl)oxy]-3-methox…

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CAS Numbers: 321432-05-7 , [321432-05-7]

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) 3.13 2.87 -10.25 0 3 0 35 260.264 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 77 - 81 Enamine Building Blocks
MP 78 - 80 Enamine Building Blocks
MP 78...80 Enamine Building Blocks
melting_point 80 - 82 KeyOrganics
MP 80-82° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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