UCSF

ZINC16159787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 11 No

Popular Name: 4-Cyano-2-fluorobenzaldehyde 4-Cyano-2-fluorobenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105942-10-7 , [105942-10-7]

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) 1.57 4.69 -12.43 0 2 0 41 149.124 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 73-75° Oakwood Chemical
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% 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.