UCSF

ZINC02512535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

Popular Name: 4-Fluoro-3-methoxybenzaldehyde 4-Fluoro-3-methoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 128495-46-5 , [128495-46-5]

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) 1.88 3.6 -8.4 0 2 0 26 154.14 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 60 TCI
MP 61 - 63 Enamine Building Blocks
Melting_Point 61-63? Alfa-Aesar
Melting_Point 61-63° Alfa-Aesar
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
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.