UCSF

ZINC02599170

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 12 No

Popular Name: 2,6-Difluoro-4-methoxybenzaldehyde 2,6-Difluoro-4-methoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 256417-10-4 , [256417-10-4]

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) 1.97 3.67 -7.09 0 2 0 26 172.13 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 73-75° Oakwood Chemical
Melting_Point 73-77? Alfa-Aesar
Melting_Point 73-77° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0542371A1; US5380737; US5464852; US5773456 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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