UCSF

ZINC00336266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 5-Fluoro-2-nitrobenzaldehyde 5-Fluoro-2-nitrobenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 395-81-3 , [395-81-3]

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 6.03 -12.76 0 4 0 63 169.111 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 153/23mm Oakwood Chemical
Boiling_Point 153?/23mm Alfa-Aesar
Boiling_Point 153°/23mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92-94° Oakwood Chemical
Melting_Point 93-96? Alfa-Aesar
Melting_Point 93-96° Alfa-Aesar
MP 94 TCI
MP 94-95° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 98% 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.