UCSF

ZINC02545347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 No

Popular Name: 3-fluoro-2-methylbenzaldehyde 3-fluoro-2-methylbenzaldehyde

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CAS Numbers: 147624-13-3 , [147624-13-3]

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) 2.24 4.94 -7.78 0 1 0 17 138.141 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 92-93/20mm Matrix Scientific
Boiling_Point 92-93?/20mm Alfa-Aesar
BP 92-93°/20mm Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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