UCSF

ZINC12359150

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 No

Popular Name: 3-(3,5-Difluorophenyl)-1H-pyrazole-4-carboxaldehyde 3-(3,5-Difluorophenyl)-1H-pyrazo…

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CAS Number: 875664-59-8

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) 1.97 4.45 -12.27 1 3 0 46 208.167 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 178-181? Alfa-Aesar
Melting_Point 178-181° Alfa-Aesar

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