UCSF

ZINC02572875

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Substance Information

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

Popular Name: 4-Hydroxy-3-(trifluoromethyl)benzaldehyde 4-Hydroxy-3-(trifluoromethyl)ben…

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CAS Numbers: 220227-98-5 , [220227-98-5]

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) 2.54 1.9 -10.74 1 2 0 37 190.12 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 153 - 155 Enamine Building Blocks
MP 153...155 Enamine Building Blocks
MP 154 - 156 Enamine Building Blocks
Melting_Point 159-163? Alfa-Aesar
Melting_Point 159-163° Alfa-Aesar
MP 160-165° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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