UCSF

ZINC20357644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 10 No

Popular Name: 2-Chloro-4-methylbenzaldehyde 2-Chloro-4-methylbenzaldehyde

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CAS Numbers: 50817-80-6 , [50817-80-6]

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) 2.78 5.38 -7.97 0 1 0 17 154.596 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 27-30° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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