UCSF

ZINC02529878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 5-Chloro-2-(trifluoromethyl)benzaldehyde 5-Chloro-2-(trifluoromethyl)benz…

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CAS Numbers: 90381-07-0 , [90381-07-0]

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) 3.23 3.42 -7.71 0 1 0 17 208.566 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 82-86° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% 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.