UCSF

ZINC05427607

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 12 No

Popular Name: 2-fluoro-4-nitrobenzaldehyde 2-fluoro-4-nitrobenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 157701-72-9 , [157701-72-9]

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) 1.78 4.96 -13.26 0 4 0 63 169.111 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Melting_Point 98-100? Alfa-Aesar
MP 98-99° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.