UCSF

ZINC02529890

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 4-Difluoromethoxy-3-methoxy-benzaldehyde 4-Difluoromethoxy-3-methoxy-benz…

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CAS Numbers: 162401-70-9 , [162401-70-9]

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) 1.93 3.73 -10.77 0 3 0 36 202.156 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 125°/6mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 98 - 100 Enamine Building Blocks
MP 98...100 Enamine Building Blocks
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.